SCHEMBL22958580

SCHEMBL22958580

CCCCC1(CCCC)c2cc3c(cc2-c2cc4c(cc21)C(=O)CC4)C(=O)CC3

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ESR2 Q92731 11/20 0.34
▸ ESR1 P03372 10/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34

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
SCHEMBL22958577 0.97 PBRM1 (0.38) PBRM1CASP1CASP7HSD17B10ESR2
SCHEMBL22958590 0.91 PBRM1 (0.36) PBRM1CASP1CASP7HSD17B10ESR2
SCHEMBL22958589 0.83 PBRM1 (0.31) PBRM1ESR2ESR1BRD4HSD17B1
SCHEMBL22958555 0.82 ESPL1 (0.40) CASP1CASP7HSD17B10ESR2ESR1
SCHEMBL22958591 0.80 MAOA (0.41) ESR2ESR1MEN1MAPK1KMT2A
SCHEMBL30166132 0.77 CASP1 (0.38) PBRM1CASP1CASP7HSD17B10ESR2
SCHEMBL22958595 0.74 CYP2C19 (0.39) —
SCHEMBL22958579 0.70 CYP2C19 (0.41) MAPK1
SCHEMBL22958597 0.69 ALDH1A1 (0.34) —
SCHEMBL7624438 0.67 PBRM1 (0.44) PBRM1CASP1CASP7HSD17B10BRD4

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-2021023144-A1 FLUORENOXIME ESTER COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 常州强力电子新材料股份有限公司 2021-02-11 — — WO disclosed
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