SCHEMBL16768947

SCHEMBL16768947

COc1c(CCC(=O)c2ccc(O)cc2O)ccc(C)c1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TTR P02766 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.46
▸ CTSK P43235 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
SCHEMBL12695590 0.90 POLB (0.49) —
SCHEMBL12541784 0.89 TTR (0.52) MEN1KMT2ANPC1ALDH1A1CYP3A4
SCHEMBL22754658 0.81 CHRNA7 (0.51) —
SCHEMBL16588662 0.80 POLB (0.67) MEN1KMT2ANPC1ALDH1A1CYP3A4
SCHEMBL12541213 0.79 MEN1 (0.51) MEN1KMT2ANPC1RAB9ATTR
SCHEMBL12695601 0.79 TYR (0.53) MEN1KMT2ACYP3A4HTT
SCHEMBL4370405 0.78 CHRNA7 (0.62) HTTHSP90AB1
SCHEMBL4724887 0.76 NPC1 (0.60) MEN1KMT2ANPC1ALDH1A1CYP3A4
SCHEMBL12695587 0.75 RAB9A (0.46) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL12695542 0.74 PTGER1 (0.47) NPC1RAB9ASMN1; SMN2

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-9045405-B2 Compounds and methods for preparation of diarylpropanes UNIGEN, INC. (US) 2015-06-02 — — US disclosed
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