SCHEMBL29980356

SCHEMBL29980356

CC(c1ccccc1)N(c1ccccc1C(=O)O)C(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 6/20 0.45
ALOX15 P16050 1/20 0.45
MTOR P42345 1/20 0.42
MAPT P10636 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 6/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SRC P12931 1/20 0.41
HPGD P15428 5/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL28549723 1.00 ALOX5 (0.47) ALOX5ALDH1A1ALOX15MTORMAPT
SCHEMBL28566234 1.00 ALOX5 (0.47) ALOX5ALDH1A1ALOX15MTORMAPT
SCHEMBL14150723 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTHDAC8KDM4E
SCHEMBL5909681 0.80 KDM4E (0.43) ALOX5ALDH1A1ALOX15MTORMAPT
SCHEMBL3062350 0.79 TRPM8 (0.50) ALOX5ALDH1A1ALOX15MTORMAPT
SCHEMBL3068504 0.79 TRPM8 (0.50) ALOX5ALDH1A1ALOX15MTORMAPT
SCHEMBL604822 0.79 TRPM8 (0.50) ALOX5ALDH1A1ALOX15MTORMAPT
SCHEMBL4245598 0.75 ALDH1A1 (0.45) ALDH1A1ALOX15MAPTHDAC8KDM4E
SCHEMBL4096876 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTHDAC8KDM4E
SCHEMBL290437 0.74 POLB (0.44) ALDH1A1ALOX15MAPTHDAC8KDM4E

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
CN-115297858-A Pharmaceutical composition for treating hypertrophic cardiomyopathy and treatment method using same 赛特瑞恩股份有限公司 2022-11-04 CN disclosed