SCHEMBL11111665

SCHEMBL11111665

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PIN1 Q13526 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP8 P22894 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 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
SCHEMBL10897815 0.85 CA12 (0.51) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL10897372 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL10901142 0.81 HPGD (0.44) ALDH1A1LMNACYP1A2CYP2C19CNR2
SCHEMBL11845351 0.79 HNF4A (0.45) NPSR1CNR2POLBPIN1MMP8
SCHEMBL10896643 0.79 CYP3A4 (0.45) ALDH1A1LMNANPSR1CYP1A2CNR2
SCHEMBL10897157 0.78 PIN1 (0.49) ALDH1A1NPSR1SMN1; SMN2CYP1A2CNR2
SCHEMBL10896515 0.78 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL23291809 0.76 ALDH1A1 (0.48) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2
SCHEMBL11129319 0.76 CNR2 (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL4224635 0.75 ALDH1A1 (0.44) ALDH1A1LMNANPSR1SMN1; SMN2CYP1A2

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
EP-0098012-A2 Process for preparing (o-hydroxyaryl)-methanols BLASCHIM S.p.A. (IT) 1984-01-11 EP disclosed