SCHEMBL5324207

SCHEMBL5324207

Cc1ccccc1C(Nc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ACP3 P15309 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL361735 0.85 NPC1 (0.46) HPGDALDH1A1HSD17B10LMNAATM
SCHEMBL1819856 0.83 HPGD (0.50) HPGDACP3ALDH1A1SMN1; SMN2NPC1
SCHEMBL3724579 0.80 ALDH1A1 (0.44) HPGDACP3ALDH1A1L3MBTL1ESR1
SCHEMBL16371412 0.79 ALDH1A1 (0.43) HPGDACP3ALDH1A1HSD17B10L3MBTL1
SCHEMBL9298098 0.79 VDR (0.43) HPGDACP3TDP1ALDH1A1LMNA
SCHEMBL2482538 0.79 GAA (0.45) TDP1ALDH1A1LMNAL3MBTL1CA12
SCHEMBL9298090 0.79 VDR (0.43) HPGDACP3TDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2485774 0.77 GAA (0.44) TDP1ALDH1A1LMNAL3MBTL1CA12
SCHEMBL442624 0.77 ALDH1A1 (0.52) TDP1ALDH1A1LMNACA12MAPT
SCHEMBL3123356 0.77 TDP1 (0.36) HPGDACP3TDP1ALDH1A1HSD17B10

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
US-5399570-A Aspartic acid derivatives, and their use for inhibiting platelete aggregation CASSELLA AKTIENGESELLSCHAFT (DE) 1995-03-21 US claimed
WO-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 WO disclosed