SCHEMBL9137273

SCHEMBL9137273

COc1cccc2oc(-c3ccc(C)cc3)cc(=O)c12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.80
▸ ALDH1A1 P00352 7/20 0.79
▸ KDM4E B2RXH2 5/20 0.79
▸ CYP3A4 P08684 4/20 0.79
▸ MAPT P10636 4/20 0.79
▸ TP53 P04637 3/20 0.79
▸ HSD17B10 Q99714 3/20 0.79
▸ HPGD P15428 3/20 0.79
▸ MEN1 O00255 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ CYP2D6 P10635 1/20 0.78
▸ CYP2C9 P11712 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ ABCB1 P08183 4/20 0.60
▸ POLH Q9Y253 1/20 0.60

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
SCHEMBL3825575 0.89 AR (0.80) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL7603117 0.89 AR (1.00) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL1629391 0.88 ALDH1A1 (1.00) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL9141909 0.87 AR (0.78) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL4649207 0.87 KDM4E (1.00) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL31675935 0.87 KDM4E (1.00) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL2481955 0.86 AR (0.75) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL30848745 0.86 AR (0.75) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL9141393 0.84 AR (0.76) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL8934487 0.84 ALDH1A1 (0.76) ARALDH1A1KDM4ECYP3A4MAPT

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-5399584-A Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs THE PROCTER & GAMBLE COMPANY (US) 1995-03-21 — — US claimed
US-5399584-A Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs THE PROCTER & GAMBLE COMPANY (US) 1995-03-21 — — US disclosed
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