SCHEMBL10079409

SCHEMBL10079409

Bc1cc(C(C)(C)C)cc(C=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL419690 0.86 ERN1 (0.58) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL2477063 0.81 ERN1 (0.52) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL28311710 0.81 ERN1 (0.47) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL29785434 0.81 ERN1 (0.47) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL12813802 0.81 ERN1 (0.47) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL18574482 0.80 GABRA1 (0.52) SMN1; SMN2KDM4EMEN1USP2ALDH1A1
SCHEMBL187267 0.79 ALOX5 (0.49) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL29467329 0.79 ALOX5 (0.49) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL29467330 0.79 ALOX5 (0.49) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL31532241 0.78 ALOX5 (0.48) ERN1SMN1; SMN2KDM4EMEN1USP2

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
WO-2012040454-A2 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES NOVOMER, INC. (US) 2012-03-29 WO disclosed