SCHEMBL2098692

SCHEMBL2098692

Nc1c(I)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 6/20 0.50
TSHR P16473 3/20 0.50
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 4/20 0.46
CYP3A4 P08684 1/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 2/20 0.46
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CYP1B1 Q16678 2/20 0.42
HIF1A Q16665 1/20 0.42
NCEH1 Q6PIU2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5249897 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL31390038 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL29705759 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL64806 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL6062322 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL1298247 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Naphthalene SCHEMBL28349112 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL1286518 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL430346 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Bromide SCHEMBL9395877 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362539-B1 SYNTHETIC LUBRICATING OIL COMPOSITIONS PHILLIPS 66 CO (US) 2024-05-22 EP disclosed
US-20210087492-A1 SYNTHETIC LUBRICATING OIL COMPOSITIONS PHILLIPS 66 COMPANY (US) 2021-03-25 US disclosed
US-10889777-B2 Synthetic lubricating oil compositions PHILLIPS 66 COMPANY (US) 2021-01-12 US disclosed
EP-3406597-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2019-10-30 EP disclosed
EP-3362539-A1 SYNTHETIC LUBRICATING OIL COMPOSITIONS Phillips 66 Company (US) 2018-08-22 EP disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
US-20180044850-A1 INSULATION PRODUCTS HAVING NON-AQUEOUS MOISTURIZER KNAUF INSULATION INC (US) 2018-02-15 US disclosed
WO-2017066186-A1 SYNTHETIC LUBRICATING OIL COMPOSITIONS PHILLIPS 66 COMPANY (US) 2017-04-20 WO disclosed
US-20170107439-A1 SYNTHETIC LUBRICATING OIL COMPOSITIONS PHILLIPS 66 COMPANY (US) 2017-04-20 US disclosed
EP-3104862-A1 DESIGN, SYNTHESIS, AND BIOLOGICAL ACTIVITY OF PLATINUM-BENZ[C]ACRIDINE HYBRID AGENTS AND METHODS ASSOCIATED THEREWITH Wake Forest University (US) 2016-12-21 EP disclosed
EP-1093473-A1 POLYALPHAOLEFINS WITH IMPROVED OXIDATIVE STABILITY AND THE PROCESS OF MAKING THEREOF Chevron Chemical Company LLC (US) 2001-04-25 EP disclosed
EP-1051466-A1 USE OF POLYALFAOLEFINS (PAO) DERIVED FROM 1-DODECENE OR 1-TETRADECENE TO IMROVE THERMAL STABILITY IN ENGINE OIL IN AN INTERNAL COMBUSTION ENGINE Chevron Chemical S.A. (FR) 2000-11-15 EP disclosed
EP-0997518-A1 Low overbased alkylaryl sulfonates Chevron Chemical S.A. (FR) 2000-05-03 EP disclosed
EP-0986539-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-03-22 EP disclosed
WO-2000000521-A1 POLYALPHAOLEFINS WITH IMPROVED OXIDATIVE STABILITY AND THE PROCESS OF MAKING THEREOF CHEVRON PHILLIPS CHEMICAL COMPANY LP; (US) 2000-01-06 WO disclosed
WO-1999038938-A1 USE OF POLYALFAOLEFINS (PAO) DERIVED FROM 1-DODECENE OR 1-TETRADECENE TO IMPROVE THERMAL STABILITY IN ENGINE OIL IN AN INTERNAL COMBUSTION ENGINE CHEVRON CHEMICAL S.A. (US) 1999-08-05 WO disclosed
WO-1998049142-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-05 WO disclosed
CN-1017337-B PROCESS FOR PREPARING PHOSPHINIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 1992-07-08 CN disclosed
CN-87101164-A PHOSPHINIC ACID DERIVATIVES 1988-06-29 CN disclosed
EP-0060580-B1 CRYSTALLINE PHENYLACETATE ENANTIOMER PAIR, AND PREPARATION OF A PESTICIDAL ENANTIOMER PAIR SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-06-05 EP disclosed