SCHEMBL8358773

SCHEMBL8358773

COc1ccc(C(=O)n2c(C)[c]c3c(C(C)(C)C)c(OC)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.44
▸ AKR1C3 P42330 5/20 0.42
▸ AKR1C2 P52895 4/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MT-CO2 P00403 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL8353882 0.89 CYP1A2 (0.38) CNR2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL10771271 0.75 AKR1C3 (0.56) CNR2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL8354825 0.74 AKR1C3 (0.51) CNR2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL8356247 0.73 ALOX5 (0.41) AKR1C3MEN1KMT2AL3MBTL1LMNA
SCHEMBL4663300 0.70 AKR1C3 (0.62) CNR2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL4377895 0.67 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2
SCHEMBL8354130 0.67 LMNA (0.54) CNR2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL30306268 0.61 CNR2 (1.00) CNR2KMT2APTGS1PTGS2ALDH1A1
SCHEMBL6279940 0.60 HPGD (0.56) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL2955217 0.59 CA2 (0.43) MEN1KMT2ATUBB1TP53PTGS1

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 1 patent. 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 disclosed
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