SCHEMBL7786645

SCHEMBL7786645

COc1c(C)c(C)c(O)c(CC(=O)Cc2ccc(O)cc2O)c1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TTR P02766 1/20 0.37

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
SCHEMBL7794914 0.90 POLB (0.38) POLBMEN1NPC1ALDH1A1CYP3A4
SCHEMBL7786443 0.88 CA12 (0.39) —
SCHEMBL8060740 0.80 TYR (0.50) MEN1CYP3A4KMT2A
SCHEMBL7786646 0.76 POLB (0.49) POLB
SCHEMBL28718751 0.75 TYR (0.60) MEN1KMT2A
SCHEMBL7794918 0.73 POLB (0.49) POLB
SCHEMBL8060984 0.72 TYR (0.50) MEN1CYP3A4KMT2A
SCHEMBL31514648 0.69 TYR (0.52) MEN1CYP3A4KMT2A
SCHEMBL4653992 0.69 TYR (0.56) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8160306 0.68 CHRNA7 (0.44) MEN1NPC1ALDH1A1CYP3A4HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0909267-B1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2001-11-21 — — EP disclosed
US-6093836-A INHIBITORY ACTIVITY AGAINT MELANIN BIOSYNTHESIS; WHITENING SUBSTANCES FOR MEDICAMENTS, COSMETICS LG CHEMICAL LTD. (KR) 2000-07-25 — — US disclosed
EP-0909267-A1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 1999-04-21 — — EP disclosed
WO-1998039279-A1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1998-09-11 — — WO disclosed
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