SCHEMBL7419202

SCHEMBL7419202

O=C(CC(C(=O)O)n1cccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SLC15A1 P46059 2/20 0.49
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 1/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7419206 1.00 NPSR1 (0.59) NPSR1HSD17B10ALDH1A1MAPK1L3MBTL1
SCHEMBL9545417 0.81 ALDH1A1 (0.50) NPSR1ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL8532755 0.79 CYP1A2 (0.43) NPSR1HSD17B10ALDH1A1MAPK1L3MBTL1
SCHEMBL73666 0.78 ALDH1A1 (0.62) HSD17B10ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL73667 0.78 ALDH1A1 (0.62) HSD17B10ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL76879 0.78 ALDH1A1 (0.62) HSD17B10ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL18258644 0.78 NPSR1 (0.63) NPSR1HSD17B10MAPK1KMT2AHPGD
SCHEMBL18258646 0.78 NPSR1 (0.63) NPSR1HSD17B10MAPK1KMT2AHPGD
SCHEMBL7449992 0.78 ALDH1A1 (0.45) NPSR1HSD17B10ALDH1A1MAPK1L3MBTL1
SCHEMBL8528989 0.77 CYP1A2 (0.41) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A

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-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed