SCHEMBL19230513

SCHEMBL19230513

COc1ccc(N2Cc3ccc(C(=O)O)cc3C2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ TIPARP Q7Z3E1 2/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ GFER P55789 1/20 0.46
▸ CHRM1 P11229 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL19230502 0.92 AKR1C3 (0.52) KDM4EAKR1C3GFERCHRM1MAPT
SCHEMBL19230510 0.89 WDR5 (0.49) KDM4ETIPARPCHRM1MAPTCA1
SCHEMBL19230514 0.82 PDK1 (0.46) KDM4EAKR1C3CA1CA2ALDH1A1
SCHEMBL11286840 0.78 TIPARP (0.50) KDM4ETIPARPAKR1C3GFERMAPT
SCHEMBL5519074 0.76 DRD1 (0.54) TIPARPMAPTLMNAALDH1A1NOTUM
SCHEMBL19230596 0.75 PDK1 (0.49) KDM4EMAPTCA1CA2ALDH1A1
SCHEMBL2948505 0.73 AKR1C3 (0.56) KDM4EAKR1C3GFERCA1CA2
SCHEMBL19230582 0.73 PDK1 (0.46) KDM4EAKR1C3MAPTCA1CA2
SCHEMBL11284844 0.73 MAPT (0.52) KDM4ETIPARPAKR1C3MAPTLMNA
SCHEMBL11281568 0.72 TIPARP (0.46) KDM4ETIPARPAKR1C3GFERMAPT

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-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 — — WO disclosed
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