SCHEMBL9517508

SCHEMBL9517508

CCC(=O)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ PTGS1 P23219 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ FABP2 P12104 1/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51

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
SCHEMBL7441533 0.83 CYP1A2 (0.60) MAPTSMN1; SMN2PTGS1MEN1KMT2A
SCHEMBL10269902 0.81 PTGS1 (0.55) MAPTSMN1; SMN2PTGS1MEN1KMT2A
SCHEMBL29473809 0.81 RARB (0.56) MAPTPTGS1MEN1KMT2AALDH1A1
SCHEMBL2041007 0.81 RARB (0.56) MAPTPTGS1MEN1KMT2AALDH1A1
SCHEMBL11539387 0.81 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL28098468 0.80 MAPT (0.54) MAPTSMN1; SMN2L3MBTL1AKR1C3AKR1C2
SCHEMBL28771192 0.80 RAB9A (0.51) MAPTSMN1; SMN2PTGS1MEN1KMT2A
SCHEMBL30989217 0.80 L3MBTL1 (0.62) MAPTSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL1906865 0.80 L3MBTL1 (0.62) MAPTSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL14241374 0.79 KAT6A (0.50) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644554-A Preparation method of (S) -flurbiprofen and intermediate thereof 上海医药工业研究院 2022-06-21 — — CN disclosed
CN-113045532-A Intermediate for preparing S-flurbiprofen and preparation method and application thereof 上海医药工业研究院 2021-06-29 — — CN disclosed
EP-0034871-B2 PROCESS FOR PREPARING ESTERS OF ALKANOIC ACIDS VIA REARRANGEMENT OF ALPHA-HALOKETALS BLASCHIM S.p.A. (IT) 1993-08-25 — — EP disclosed
EP-0210589-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE ALPHA-HALOGEN KETALS ZAMBON S.p.A. (IT) 1990-09-26 — — EP disclosed
US-4861903-A Intermediates for preparing optically active carboxylic acids ZAMBON SPA (IT) 1989-08-29 — — US disclosed
US-4748253-A Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASINACHIM S.P.A. (IT) 1988-05-31 — — US disclosed
EP-0210589-A2 Process for preparing optically active alpha-halogen ketals ZAMBON S.p.A. (IT) 1987-02-04 — — EP disclosed
EP-0034871-B1 PROCESS FOR PREPARING ESTERS OF ALKANOIC ACIDS VIA REARRANGEMENT OF ALPHA-HALOKETALS BLASCHIM S.p.A. (IT) 1985-07-31 — — EP disclosed
EP-0034871-A2 Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASCHIM S.p.A. (IT) 1981-09-02 — — EP disclosed
US-4142054-A TRIVALENT THALLIUM SALT THE UPJOHN COMPANY (US) 1979-02-27 — — US disclosed
US-4135051-A ENOL ETHER OF AN ARYL ALKYL KETONE WITH A THALLIJM SALT, REGENERATION OF THALLIUM SALT BY ADDING PERACID AND REACTIVE METAL COMPOUND THE UPJOHN COMPANY (US) 1979-01-16 — — US disclosed
US-4107439-A Process for preparing arylalkanoic acid derivatives THE UPJOHN COMPANY (US) 1978-08-15 — — US disclosed
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