SCHEMBL19230577

SCHEMBL19230577

COC(=O)c1ccc2c(c1)CCC(c1ccc(OC)cc1F)O2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC8A1 P32418 9/20 0.43
FFAR1 O14842 8/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ABCB11 O95342 2/20 0.38

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
SCHEMBL19230991 0.88 SLC8A1 (0.43) SLC8A1CA1CA2GABRA1GABRB2
SCHEMBL19230375 0.88 ESR2 (0.46) SLC8A1FFAR1CA1CA2ABCB11
SCHEMBL19230824 0.87 NOTUM (0.43) SLC8A1
SCHEMBL19230614 0.83 ESR1 (0.50) MAPTSLC8A1CA1CA2GABRA1
SCHEMBL24102062 0.78 CA12 (0.43) SLC8A1FFAR1CA1CA2ABCB11
SCHEMBL19230993 0.78 ESR1 (0.47) SLC8A1CA1CA2
SCHEMBL19230789 0.78 ESR1 (0.39) KDM4EALDH1A1TSHRSLC8A1FFAR1
SCHEMBL19230656 0.77 ESR1 (0.49) KDM4EALDH1A1MAPTTSHRCA1
SCHEMBL19230805 0.77 ESR1 (0.49) KDM4EALDH1A1MAPTTSHRCA1
SCHEMBL19230310 0.77 ESR1 (0.49) KDM4EALDH1A1MAPTTSHRCA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed