SCHEMBL4611110

SCHEMBL4611110

Cc1c(COc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2Cl)cccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.64
▸ PPARD Q03181 2/20 0.63
▸ NR1I2 O75469 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ LIFR P42702 4/20 0.61
▸ MEN1 O00255 1/20 0.58
▸ FABP1 P07148 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HSD17B13 Q7Z5P4 1/20 0.58

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
SCHEMBL6189455 0.88 NR1H4 (0.66) NR1H4PPARDNR1I2CYP1A2CYP3A4
SCHEMBL4426173 0.83 NR1H4 (0.78) NR1H4LIFRMEN1FABP1THRB
SCHEMBL21624448 0.81 NR1H4 (0.69) NR1H4PPARDNR1I2CYP1A2CYP3A4
SCHEMBL4838231 0.81 NR1H4 (0.85) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL4598944 0.80 NR1H4 (0.87) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL4426866 0.79 NR1H4 (0.86) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL3806432 0.79 NR1H4 (0.73) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL21244210 0.79 NR1H4 (0.72) NR1H4PPARDLIFR
SCHEMBL14279685 0.79 NR1H4 (0.82) NR1H4PPARDLIFR
SCHEMBL4611112 0.78 NR1H4 (0.79) NR1H4PPARDLIFRMEN1FABP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 — — WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 — — EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 — — EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 — — EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 — — WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 — — WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 — — WO disclosed
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