SCHEMBL8356338

SCHEMBL8356338

CCCCCC(NC(=O)Cc1c(C)n(C(=O)c2ccccc2)c2ccc(O)cc12)C(=O)N(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.49
PTGS1 P23219 3/20 0.49
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PLA2G2A P14555 1/20 0.45

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
SCHEMBL8360155 0.92 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8356518 0.92 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8360198 0.91 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8358919 0.90 LMNA (0.61) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8361043 0.90 PTGS2 (0.47) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL8356848 0.90 PTGS2 (0.47) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL8359842 0.89 PTGS2 (0.47) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL8356449 0.89 LMNA (0.50) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL8360277 0.84 LMNA (0.59) PTGS2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8361038 0.82 PTGS2 (0.64) PTGS2PTGS1

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