SCHEMBL18597944

SCHEMBL18597944

CNc1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
LPAR1 Q92633 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
LMNA P02545 1/20 0.38
EDNRB P24530 3/20 0.37
EDNRA P25101 3/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 3/20 0.35
NLRP3 Q96P20 1/20 0.35
TET3 O43151 1/20 0.35
FBXL19 Q6PCT2 1/20 0.35
CXXC5 Q7LFL8 1/20 0.35

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
SCHEMBL11644 0.90 ABCC3 (0.47) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2636512 0.84 LPAR1 (0.55) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL18597706 0.80 LPAR1 (0.63) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2272 0.78 LPAR1 (0.40) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL2636016 0.78 LPAR1 (0.54) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL343602 0.77 LPAR1 (0.77) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL12984328 0.76 LPAR1 (0.43) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL7404 0.76 LPAR1 (0.61) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL12983891 0.75 LPAR1 (0.42) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL18597789 0.75 ABCC3 (0.51) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed