SCHEMBL8322335

SCHEMBL8322335

COc1cc(OC)nc(Oc2[c]cccc2)n1.[c]1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7713784 0.94 L3MBTL1 (0.50) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8373808 0.74 L3MBTL1 (0.37) L3MBTL1ALDH1A1LMNA
SCHEMBL2900554 0.73 L3MBTL1 (0.70) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL9767808 0.72 L3MBTL1 (0.75) L3MBTL1ALDH1A1LMNAEDNRBEDNRA
SCHEMBL2894729 0.71 L3MBTL1 (0.57) L3MBTL1ALDH1A1LMNANPSR1CYP1A2
SCHEMBL7715933 0.71 L3MBTL1 (0.49) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL28313311 0.69
SCHEMBL2095414 0.67 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10395477 0.67 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7100899 0.67

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
EP-0892787-A1 NOVEL $g(a)-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1999-01-27 EP disclosed
WO-1997038981-A1 NOVEL α-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed