SCHEMBL9958710

SCHEMBL9958710

CNc1ccc(Cl)cc1C(=O)N(CCc1cc(F)c(F)c(C)c1F)Cc1ccc(OCC(=O)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.38
LPAR2 Q9HBW0 2/20 0.38
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLA P06280 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CCR9 P51686 2/20 0.34
F2 P00734 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3581565 0.79 SLC2A1 (0.43) LPAR1LPAR2ALDH1A1CYP1A2CYP3A4
SCHEMBL4614116 0.76 ALDH1A1 (0.33) LPAR1LPAR2ALDH1A1GLALPAR5
SCHEMBL4612209 0.75 F10 (0.34) LPAR1LPAR2ALDH1A1F2SMN1; SMN2
SCHEMBL3572707 0.72 CCR9 (0.42) LPAR1LPAR2ALDH1A1CYP3A4GLA
SCHEMBL3569645 0.72 CCR9 (0.43) LPAR1LPAR2ALDH1A1GLACCR9
SCHEMBL3577563 0.72 NLRP3 (0.42) LPAR1LPAR2ALDH1A1GLALPAR5
SCHEMBL3584106 0.71 LPAR1 (0.59) LPAR1LPAR2LPAR5
SCHEMBL3577662 0.71 LPAR1 (0.43) LPAR1LPAR2ALDH1A1GLASMN1; SMN2
SCHEMBL3569038 0.70 LPAR1 (0.40) LPAR1LPAR2ALDH1A1GLACCR9
SCHEMBL3577159 0.69 C5AR1 (0.42) LPAR1LPAR2ALDH1A1GLALPAR5

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-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed