SCHEMBL2772063

SCHEMBL2772063

CCCc1c(C)nn(-c2c(Cl)cccc2Cl)c1COc1ccc(CNCc2ccc(C(=O)O)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PDGFRA P16234 1/20 0.38
ROCK1 Q13464 1/20 0.38
NR1H4 Q96RI1 4/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
NR4A2 P43354 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL2775265 0.94 SMN1; SMN2 (0.43) PPARASMN1; SMN2NPSR1MRGPRX4RXRA
SCHEMBL2775204 0.93 MRGPRX4 (0.47) PPARASMN1; SMN2MRGPRX4S1PR1S1PR5
SCHEMBL2770719 0.90 SMN1; SMN2 (0.41) PPARASMN1; SMN2NPSR1MRGPRX4S1PR1
SCHEMBL2773812 0.87 MRGPRX4 (0.48) PPARASMN1; SMN2NPSR1MRGPRX4NR1H4
SCHEMBL2771623 0.85 NR1H4 (0.46) PPARASMN1; SMN2NPSR1MRGPRX4RXRA
SCHEMBL2772065 0.84 NR1H4 (0.46) PPARAMRGPRX4RXRARXRBRXRG
SCHEMBL2833139 0.84 NR1H4 (0.44) MRGPRX4RXRARXRBRXRGNR1H4
SCHEMBL2770433 0.83 MRGPRX4 (0.47) PPARAMRGPRX4NR1H4NR4A2NPC1
SCHEMBL498301 0.81 NR1H4 (0.59) PPARASMN1; SMN2NPSR1MRGPRX4S1PR1
SCHEMBL2770618 0.81 NR1H4 (0.58) PPARASMN1; SMN2NPSR1MRGPRX4S1PR1

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