SCHEMBL9464464

SCHEMBL9464464

C/C=C(/C(=O)O)c1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
HPGD P15428 3/20 0.48
MYC P01106 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GPR52 Q9Y2T5 1/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 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
SCHEMBL9333326 0.86 ERCC5 (0.50) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL9333335 0.86 ERCC5 (0.50) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL9563141 0.84 ERCC5 (0.49) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL13176500 0.83 ERCC5 (0.45) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL9493449 0.81 KMT2A (0.46) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL7770355 0.81 ERCC5 (0.46) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL9359645 0.81 ERCC5 (0.46) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL9333311 0.81 KMT2A (0.46) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL6265289 0.81 ERCC5 (0.46) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL9359661 0.81 ERCC5 (0.46) ERCC5FEN1HPGDMYCKDM4E

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
US-5268488-A Containing an imidothioether and benzene ring UBE INDUSTRIES, LTD. (JP) 1993-12-07 US disclosed