SCHEMBL8358802

SCHEMBL8358802

CCCCN(C)C(=O)CCCCCCCNC(=O)Cc1c(-c2ccc(F)cc2)n(Cc2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 16/20 0.47
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 2/20 0.44
PLA2G1B P04054 1/20 0.42

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
SCHEMBL8356418 0.96 PLA2G2A (0.49) PLA2G2APTGS2PLA2G1B
SCHEMBL8358782 0.96 PLA2G2A (0.49) PLA2G2APTGS2PLA2G1B
SCHEMBL8356526 0.96 PLA2G2A (0.49) PLA2G2APTGS2PLA2G1B
SCHEMBL8356722 0.93 PLA2G2A (0.39) PLA2G2AKDM4ELMNACYP1A2CYP3A4
SCHEMBL8361051 0.91 ALDH1A1 (0.41) PLA2G2AKDM4ELMNA
SCHEMBL8355061 0.89 PLA2G2A (0.41) PLA2G2APTGS2
SCHEMBL8360168 0.89 PLA2G2A (0.41) PLA2G2APTGS2
SCHEMBL8354786 0.89 PLA2G2A (0.41) PLA2G2APTGS2
SCHEMBL8356294 0.88 PLA2G2A (0.60) PLA2G2APTGS2PLA2G1B
SCHEMBL8356770 0.87 ESR1 (0.41) PLA2G2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877202-A Indole derivatives useful to treat estrogen-related neoplasms and disorders AVENTISUB II INC. 1999-03-02 US claimed
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP claimed
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP claimed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO claimed
US-5877202-A Indole derivatives useful to treat estrogen-related neoplasms and disorders AVENTISUB II INC. 1999-03-02 US disclosed
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed