SCHEMBL8997256

SCHEMBL8997256

OCC(O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
AGTR1 P30556 1/20 0.40
TSHR P16473 4/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
USP2 O75604 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL6252910 0.78 CYP1A2 (0.34) CYP1A2KDM4ELMNAAGTR1TSHR
SCHEMBL11735074 0.77 NPC1 (0.33) TSHRMEN1KMT2A
SCHEMBL11453983 0.75 CYP1A2 (0.49) CYP1A2KDM4ELMNAAGTR1TSHR
SCHEMBL11672290 0.75 NPSR1 (0.52) CYP1A2KDM4ELMNATSHRMAPK1
SCHEMBL2836115 0.74
Bromide SCHEMBL11800094 0.74 KMT2A (0.47) CYP1A2KDM4ELMNAAGTR1TSHR
SCHEMBL11434935 0.73 CYP1A2 (0.40) CYP1A2KDM4ELMNAAGTR1TSHR
SCHEMBL11516388 0.71 LMNA (0.45) CYP1A2LMNATSHRMAPK1CYP2C19
SCHEMBL11728935 0.71 NPC1 (0.30)
SCHEMBL11470820 0.71 TSHR (0.49) CYP1A2KDM4ELMNAAGTR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544052-B1 Use of a photocurable resin composition for the preparation of a laminated film. DAICEL UCB CO LTD (JP) 1996-09-04 EP disclosed
EP-0544052-A1 Use of a photocurable resin composition for the preparation of a laminated film. DAICEL-UCB CO., LTD. (JP) 1993-06-02 EP disclosed
US-4365025-A BY REACTION WITH WATER W. R. GRACE & CO. (US) 1982-12-21 US disclosed
US-4361623-A REACTION PRODUCT OF NITROGEN COMPOUND AND HALOGENATED DIOL BASF WYANDOTTE CORPORATION (US) 1982-11-30 US disclosed
US-4349494-A Method of making a fire-retardant product having a foamed lore and a fire-retardant protective layer W. R. GRACE & CO. (US) 1982-09-14 US disclosed
US-4312966-A DISPERSION IN POLYMERIC FIBER OF HALOGENATED POLYESTER OF POLYOXYALKYLENE COMPOUND HAVING AMINE NUCLEUS BASF WYANDOTTE CORPORATION (US) 1982-01-26 US disclosed
US-4304801-A REACTION PRODUCT OF AMINE-INITIATED ETHYLENE OXIDE-PROPYLENE OXIDE COPOLYMER, HALOGENATED DIACID, AND DIOL BASF WYANDOTTE CORPORATION (US) 1981-12-08 US disclosed
US-4303767-A Flame retardant antistatic additives and antistatic fibers BASF WYANDOTTE CORPORATION (US) 1981-12-01 US disclosed
US-4294944-A POLYOXYALKYLENE-AMINES BASF WYANDOTTE CORPORATION (US) 1981-10-13 US disclosed
US-4254177-A POLYURETHANE FOAM WITH FIREPROOF FILLER, FOR MATTRESSES W. R. GRACE & CO. (US) 1981-03-03 US disclosed
US-4246146-A POLETHERPOLYOL END CAPPED WITH POLYISOCYANATE W. R. GRACE & CO. (US) 1981-01-20 US disclosed
US-4229554-A HALOGENATED POLYETHER-POLYESTER COPOLYMERS BASF WYANDOTTE CORPORATION (US) 1980-10-21 US disclosed
US-4134814-A Halogenated photopolymerizable adhesives UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed
US-4134811-A Halogenated photopolymerizable compositions UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed
US-3933875-A Opaque polyester copolymer coated articles BASF FARBEN & FASERN AG (DT) 1976-01-20 US disclosed