SCHEMBL2770890

SCHEMBL2770890

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CCOc1cccc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 11/20 0.64
▸ NR4A2 P43354 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ LIFR P42702 1/20 0.41
▸ PPARA Q07869 2/20 0.39
▸ PPARG P37231 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
SCHEMBL2772480 0.94 NR1H4 (0.60) NR1H4NR4A2MRGPRX4LIFRPPARA
SCHEMBL2770317 0.93 NR1H4 (0.68) NR1H4NR4A2NPC1RAB9AMRGPRX4
SCHEMBL2771465 0.88 NR1H4 (0.64) NR1H4NR4A2NPC1RAB9AMRGPRX4
SCHEMBL2771389 0.87 NR1H4 (0.54) NR1H4MRGPRX4PPARAPPARG
SCHEMBL2772849 0.87 NR1H4 (0.54) NR1H4MRGPRX4PPARAPPARG
SCHEMBL2771248 0.87 NR1H4 (0.66) NR1H4NR4A2NPC1RAB9AMRGPRX4
SCHEMBL4031907 0.87 NR1H4 (0.57) NR1H4NR4A2MRGPRX4LIFR
SCHEMBL2771809 0.87 NR1H4 (0.54) NR1H4MRGPRX4PPARAPPARG
SCHEMBL2771757 0.86 NR1H4 (0.65) NR1H4NR4A2NPC1RAB9AMRGPRX4
SCHEMBL2772157 0.86 NR1H4 (0.53) NR1H4NR4A2MRGPRX4NR4A1NR4A3

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
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 — — EP disclosed
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