SCHEMBL8930009

SCHEMBL8930009

COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.60
KCNK9 Q9NPC2 4/20 0.60
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 2/20 0.57
PNLIP P16233 1/20 0.57
GRM5 P41594 1/20 0.55
KMT2A Q03164 4/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 6/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
HPGD P15428 1/20 0.54
CASP3 P42574 1/20 0.54
TP53 P04637 3/20 0.53
MEN1 O00255 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CHRM5 P08912 1/20 0.53

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
SCHEMBL29376797 1.00 KCNK3 (0.60) KCNK3KCNK9MAPK1KDM4EPNLIP
SCHEMBL8930039 0.85 DHODH (0.56) KCNK3KCNK9KDM4EPNLIPKMT2A
SCHEMBL9198150 0.85 KDM4E (0.62) KCNK3KCNK9MAPK1KDM4EPNLIP
SCHEMBL9197072 0.84 F2R (0.55) MAPK1KDM4EPNLIPKMT2AMAPT
SCHEMBL9199976 0.84 MAPT (0.51) KDM4EKMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL9202940 0.84 RAB9A (0.61) KDM4EPNLIPKMT2AMAPTRAB9A
SCHEMBL4254938 0.83 KCNK3 (0.71) KCNK3KCNK9MAPK1KDM4EPNLIP
SCHEMBL27318187 0.83 PPARG (0.53) KDM4EKMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL9198085 0.83 SMN1; SMN2 (0.67) KCNK3KCNK9KDM4EKMT2AMAPT
SCHEMBL8929781 0.79 HPGD (0.58) MAPK1KDM4EKMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP claimed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO claimed
US-5693827-A Treatment of HIV infections and compounds useful therein UNIROYAL CHEMICAL COMPANY, INC. 1997-12-02 US disclosed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed
CN-1051036-A The treatment of HIV (human immunodeficiency virus) infections and in treatment used compound UNIROYAL CHEM CO INC (US) 1991-05-01 CN disclosed