SCHEMBL4779974

SCHEMBL4779974

CCc1cc(C(=O)c2ccc(OC(F)(F)F)cc2)c(NC(=O)CCCNCC(=O)O)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.63
GFER P55789 1/20 0.54
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3587540 0.92 NPSR1 (0.68) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL3588145 0.90 NPSR1 (0.63) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL3589670 0.86 NPSR1 (0.60) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL3593253 0.83 NPSR1 (0.59) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL3592325 0.83 NPSR1 (0.62) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL3596025 0.83 NPSR1 (0.61) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL3588168 0.83 NPSR1 (0.61) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL14547095 0.83 NPSR1 (0.56) NPSR1GFERHSD17B10KDM4EALDH1A1
SCHEMBL3593438 0.81 GFER (0.55) NPSR1GFERHSD17B10CYP1A2CYP2C9
SCHEMBL14160313 0.81 GFER (0.58) NPSR1GFERHSD17B10CYP1A2CYP2C9

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
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed