SCHEMBL31455640

SCHEMBL31455640

C=Cc1cccc(C(C)C(=O)OC)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31494830 0.81 CES2 (0.47) PTGS1PTGS2KMT2AMEN1CES2
SCHEMBL10773337 0.77 PTGS1 (0.40) PTGS1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL31455895 0.77 PTGS1 (0.40) PTGS1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL8676087 0.76 KMT2A (0.50) PTGS1PTGS2KMT2AMEN1CES2
SCHEMBL8472060 0.76 KMT2A (0.50) PTGS1PTGS2KMT2AMEN1CES2
SCHEMBL31612953 0.76 KMT2A (0.50) PTGS1PTGS2KMT2AMEN1CES2
SCHEMBL31455566 0.76 PTGS1 (0.42) PTGS1PTGS2KMT2AMEN1CES2
SCHEMBL2871090 0.76 ANPEP (0.42) PTGS1ALDH1A1HPGDCYP1A2
SCHEMBL23270664 0.75 CES2 (0.42) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL29907852 0.75 CES2 (0.42) KMT2AMEN1CES2CES1ALDH1A1

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