SCHEMBL6903601

SCHEMBL6903601

O=C(O)c1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl.O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
DPP4 P27487 1/20 0.40
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
ALOX15 P16050 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL27772 0.97 HTT (0.50) HTTCES2CES1DPP4HSD17B10
SCHEMBL29431520 0.97 HTT (0.50) HTTCES2CES1DPP4HSD17B10
SCHEMBL205832 0.97 HTT (0.45) HTTCES2CES1DPP4HSD17B10
SCHEMBL10617916 0.93 HTT (0.43) HTTCES2CES1DPP4HSD17B10
Hydrochloric Acid SCHEMBL10715453 0.93 HTT (0.48) HTTCES2CES1DPP4HSD17B10
SCHEMBL1157937 0.93 HTT (0.43) HTTCES2CES1DPP4HSD17B10
SCHEMBL6227879 0.93 HTT (0.43) HTTCES2CES1DPP4HSD17B10
SCHEMBL3630379 0.93 HTT (0.48) HTTCES2CES1DPP4HSD17B10
SCHEMBL5693960 0.93 HTT (0.48) HTTCES2CES1DPP4HSD17B10
SCHEMBL5406015 0.93 HTT (0.43) HTTCES2CES1DPP4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268581-B1 STABLE INITIATOR SYSTEM JOHNSON & JOHNSON VISION CARE (US) 2004-11-24 EP disclosed
EP-1268581-A2 STABLE INITIATOR SYSTEM Johnson & Johnson Vision Care, Inc. (US) 2003-01-02 EP disclosed
US-6414049-B1 SILICONE, ACYLPHOSPHINE PROMOTER, ACID MIXTURE JOHNSON & JOHNSON VISION CARE, INC. 2002-07-02 US disclosed
WO-2001070824-A2 STABLE INITIATOR SYSTEM JOHNSON & JOHNSON VISION CARE, INC. (US) 2001-09-27 WO disclosed
US-5075488-A Fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-12-24 US disclosed
EP-0128006-B1 A SOIL-DISEASE-CONTROLLING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
EP-0128006-A2 A soil-disease-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP disclosed