SCHEMBL28215080

SCHEMBL28215080

CC(C)(C)OC(=O)NCc1cc(F)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
KCNA5 P22460 1/20 0.41
GRM2 Q14416 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
EPHX2 P34913 3/20 0.40
NR1H4 Q96RI1 3/20 0.40
BRD4 O60885 1/20 0.39
CLCN2 P51788 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38
DCLRE1B Q9H816 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL1654700 0.89 KDM4A (0.42) KDM4AKCNA5GRM2RPS6KA1CTSS
SCHEMBL16790458 0.86 EPHX2 (0.48) KDM4AKCNA5EPHX2NR1H4BRD4
SCHEMBL23979460 0.84 IDO1 (0.47) KDM4AKCNA5
SCHEMBL11933658 0.83 P2RX7 (0.48) KDM4AKCNA5GRM2RPS6KA1CTSS
SCHEMBL23735207 0.83 EGFR (0.44) KDM4AKCNA5GRM2RPS6KA1CTSS
SCHEMBL30487345 0.83 KDM4A (0.41) KDM4AKCNA5GRM2RPS6KA1CTSS
SCHEMBL23105713 0.82 KDM4A (0.43) KDM4AKCNA5GRM2RPS6KA1CTSS
SCHEMBL2443309 0.82 GRM2 (0.44) KDM4AKCNA5GRM2RPS6KA1CTSS
SCHEMBL14940927 0.82 KCNA5 (0.42) KDM4AKCNA5RPS6KA1CTSSCTSK
SCHEMBL29555276 0.82 KDM4A (0.43) KDM4AKCNA5GRM2RPS6KA1CTSS

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
CN-108004372-A High calcium aluminium slag ball and preparation method thereof 天津基纳科技发展有限公司 2018-05-08 CN disclosed