SCHEMBL22958590

SCHEMBL22958590

CCCCCCC1(CCCCCC)c2cc3c(cc2-c2cc4c(cc21)CCC4=O)C(=O)CC3

nearest known ligand 0.36

Predicted protein targets (top 18)

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
▸ MMP2 P08253 4/20 0.35
▸ MMP9 P14780 4/20 0.35
▸ MMP8 P22894 4/20 0.35
▸ MMP13 P45452 4/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ CYP19A1 P11511 3/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL22958580 0.91 PBRM1 (0.36) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL22958577 0.88 PBRM1 (0.38) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL22958555 0.79 ESPL1 (0.40) CASP1CASP7HSD17B10ESR1ESR2
SCHEMBL22958589 0.75 PBRM1 (0.31) PBRM1BRD4HSD17B1ESR1ESR2
SCHEMBL22958624 0.74 ALDH1A1 (0.39) MMP2MMP9MMP8MMP13ESR1
SCHEMBL22958591 0.72 MAOA (0.41) HSD17B1ESR1ESR2
SCHEMBL26970651 0.70 PBRM1 (0.45) PBRM1HSD17B10ESR1
SCHEMBL12737804 0.70 MMP2 (0.43) MMP2MMP9MMP8MMP13PTPN1
SCHEMBL12737853 0.68 ELANE (0.41) MMP2MMP9MMP8MMP13CNR1
SCHEMBL12737947 0.68 ELANE (0.41) MMP2MMP9MMP8MMP13CNR1

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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