SCHEMBL9683417

SCHEMBL9683417

O=C(O)/C=C(\Oc1ccc(F)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR4A2 P43354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALOX15 P16050 1/20 0.36
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL9683421 1.00 KMT2A (0.41) KMT2APPARGPPARAATMKDM4E
SCHEMBL10792060 0.82 TDP1 (0.42) ATMKDM4EALDH1A1ALOX15
SCHEMBL9685241 0.82 TDP1 (0.42) ATMKDM4EALDH1A1ALOX15
SCHEMBL8228620 0.82 TDP1 (0.42) ATMKDM4EALDH1A1ALOX15
SCHEMBL9018474 0.82 KMT2A (0.49) KMT2AALDH1A1
SCHEMBL9018477 0.82 KMT2A (0.49) KMT2AALDH1A1
SCHEMBL6191253 0.82 NR4A1 (0.51) PPARGPPARANR4A2ALDH1A1CYP11B1
SCHEMBL6191252 0.82 NR4A1 (0.51) PPARGPPARANR4A2ALDH1A1CYP11B1
SCHEMBL4253707 0.76 GAA (0.51) KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4253701 0.76 GAA (0.51) KMT2ASMN1; SMN2ALDH1A1MEN1

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-5171865-A Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-12-15 US disclosed
EP-0331078-A2 Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-09-06 EP disclosed