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SCHEMBL4838752

SCHEMBL4838752

CCN(c1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.70
▸ LIFR P42702 3/20 0.67
▸ MEN1 O00255 1/20 0.61
▸ FABP1 P07148 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HSD17B13 Q7Z5P4 1/20 0.61

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
SCHEMBL4421558 0.94 NR1H4 (0.72) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4429498 0.90 NR1H4 (0.75) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4424716 0.86 NR1H4 (0.72) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4421519 0.85 NR1H4 (0.75) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4433150 0.85 NR1H4 (0.66) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4427382 0.84 NR1H4 (0.69) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4426866 0.83 NR1H4 (0.86) NR1H4LIFRMEN1FABP1THRB
SCHEMBL30080777 0.83 NR1H4 (1.00) NR1H4LIFRMEN1FABP1THRB
SCHEMBL28535262 0.83 NR1H4 (1.00) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4840153 0.83 NR1H4 (0.66) NR1H4LIFR

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
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 — — US disclosed