SCHEMBL22047488

SCHEMBL22047488

Cc1cc(C(C)C)cc(N)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.50
ALOX12 P18054 1/20 0.50
HIF1A Q16665 1/20 0.50
PTGS1 P23219 2/20 0.47
PTGS2 P35354 1/20 0.47
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
PKM P14618 2/20 0.40
USP2 O75604 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 2/20 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
SCHEMBL11864455 0.86 ALDH1A1 (0.58) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL2754950 0.84 PTGS1 (0.55) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL26521897 0.78 GABRA1 (0.63) GAAALDH1A1LMNAHTTALOX12
SCHEMBL30429057 0.78 GAA (0.50) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL24190794 0.78 GAA (0.50) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL22962176 0.77 ALDH1A1 (0.43) GAAALDH1A1LMNAHTTALOX12
SCHEMBL7933602 0.77 GABRA1 (0.61) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL10342100 0.77 ALDH1A1 (0.43) GAAALDH1A1LMNAHTTALOX12
SCHEMBL21487683 0.77 ALDH1A1 (0.48) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL18778629 0.76 PTGS1 (0.44) GAAKDM4EALDH1A1LMNAHTT

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-2020109970-A1 RAIL INTERIOR COMPLIANT THERMOPLASTIC COMPOSITE SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-06-04 WO disclosed