SCHEMBL8354408

SCHEMBL8354408

CCCCN(C)C(=O)CCCCCCNC(=O)Cc1c(C)n(CCCc2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 13/20 0.63
PTGS2 P35354 4/20 0.51
PLA2G1B P04054 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL8355151 0.93 PLA2G2A (0.53) PLA2G2APTGS2PLA2G1BHDAC3HDAC1
SCHEMBL8356294 0.92 PLA2G2A (0.60) PLA2G2APTGS2PLA2G1B
SCHEMBL8356411 0.90 PLA2G2A (0.49) PLA2G2APTGS2
SCHEMBL8356465 0.88 PTGS2 (0.55) PLA2G2APTGS2HDAC3HDAC1HDAC8
SCHEMBL8360293 0.86 PTGS2 (0.56) PLA2G2APTGS2HDAC3HDAC1HDAC8
SCHEMBL8356783 0.85 PLA2G2A (0.59) PLA2G2APTGS2PLA2G1B
SCHEMBL8356920 0.84 PLA2G2A (0.50) PLA2G2APTGS2PLA2G1B
SCHEMBL8354812 0.84 PTGS2 (0.68) PLA2G2APTGS2HDAC3HDAC1HDAC8
SCHEMBL8354817 0.84 PTGS2 (0.68) PLA2G2APTGS2HDAC3HDAC1HDAC8
SCHEMBL8356526 0.84 PLA2G2A (0.49) PLA2G2APTGS2PLA2G1B

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
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
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed