SCHEMBL8356646

SCHEMBL8356646

CCCCCCC(NC(=O)Cc1c(C)n(C(=O)c2ccccc2)c2ccc(OC(C)=O)cc12)C(=O)N(C)CCCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PLA2G2A P14555 1/20 0.47
PTGS1 P23219 1/20 0.44

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
SCHEMBL8359033 0.99 LMNA (0.49) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8358997 0.93 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8360565 0.93 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8354810 0.92 LMNA (0.58) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8354816 0.92 LMNA (0.59) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8356795 0.90 LMNA (0.49) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8356449 0.90 LMNA (0.50) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8354848 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8359842 0.89 PTGS2 (0.47) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8360160 0.88 PTGS2 (0.40) PTGS2PLA2G2A

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 2 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
US-5877202-A Indole derivatives useful to treat estrogen-related neoplasms and disorders AVENTISUB II INC. 1999-03-02 US disclosed