SCHEMBL31455828

SCHEMBL31455828

COC(=O)C(C)c1cccc(C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.77
PTGS2 P35354 5/20 0.77
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
RECQL P46063 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CXCL8 P10145 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
ANPEP P15144 1/20 0.49

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
SCHEMBL8754918 0.87 PTGS1 (1.00) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL9086931 0.87 PTGS1 (1.00) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL577323 0.87 PTGS1 (1.00) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL12935378 0.87 PTGS1 (1.00) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL31477369 0.87 PTGS1 (0.72) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL9030430 0.87 PTGS1 (0.72) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL25810490 0.85 PTGS1 (0.70) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL11308071 0.84 PTGS1 (0.74) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL9633124 0.84 PTGS1 (0.74) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL30925030 0.83 PTGS1 (0.55) PTGS1PTGS2ALDH1A1MAPTCXCR1

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed