SCHEMBL9735524

SCHEMBL9735524

C=C(Oc1cccc2c1C(=O)NC2=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 7/20 0.38
KCNA5 P22460 1/20 0.35
ELANE P08246 1/20 0.34
POLB P06746 1/20 0.34
STK10 O94804 3/20 0.32
SLK Q9H2G2 3/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
GSK3B P49841 3/20 0.32
GSK3A P49840 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CASP2 P42575 1/20 0.32

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
SCHEMBL23045114 0.84 KDM4E (0.48) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL28633753 0.81 KDM4E (0.50) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL6634972 0.76 KDM4E (0.54) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL9658222 0.74 KDM4E (0.41) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL10908794 0.73 KDM4E (0.40) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL6628077 0.73 POLM (0.40) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL2177078 0.73 KDM4E (0.46) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL7645289 0.72 TYMS (0.46) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL8094143 0.72 KDM4E (0.47) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL28326979 0.72 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10GAAHPGD

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
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 EP disclosed