SCHEMBL10901142

SCHEMBL10901142

CCOC(=O)C(C)(O)c1ccc(OC)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
ABCB11 O95342 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL11108069 0.89 ALDH1A1 (0.45) HPGDCYP3A4ALDH1A1NPC1RAB9A
SCHEMBL10897815 0.87 CA12 (0.51) HPGDCYP3A4ALDH1A1CYP1A2POLB
SCHEMBL10896643 0.86 CYP3A4 (0.45) HPGDCYP3A4ALDH1A1CYP1A2POLB
SCHEMBL11554392 0.86 ALDH1A1 (0.44) HPGDCYP3A4ALDH1A1NPC1RAB9A
SCHEMBL10897372 0.84 ALDH1A1 (0.54) HPGDCYP3A4ALDH1A1RAB9ACYP1A2
SCHEMBL11111665 0.81 ALDH1A1 (0.40) CYP3A4ALDH1A1MAPK1CYP1A2POLB
SCHEMBL10899134 0.80 NPC1 (0.50) HPGDCYP3A4ALDH1A1NPC1RAB9A
SCHEMBL11845351 0.78 HNF4A (0.45) POLBCNR2
SCHEMBL10897157 0.77 PIN1 (0.49) CYP3A4ALDH1A1CYP1A2POLBABCB11
SCHEMBL8722216 0.77 KDM4E (0.46) HPGDCYP3A4ALDH1A1NPC1RAB9A

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-0098012-B1 PROCESS FOR PREPARING (O-HYDROXYARYL)-METHANOLS BLASCHIM S.p.A. (IT) 1986-09-17 EP disclosed
EP-0098012-A2 Process for preparing (o-hydroxyaryl)-methanols BLASCHIM S.p.A. (IT) 1984-01-11 EP disclosed