SCHEMBL6563729

SCHEMBL6563729

CC(C)(C)OC(=O)NC(=N)c1ccc(NCC#Cc2ccc(C(=O)c3ccccc3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
PPARA Q07869 7/20 0.41
PPARD Q03181 2/20 0.41
GRM5 P41594 4/20 0.38
PTPN11 Q06124 1/20 0.35
PTPRB P23467 1/20 0.35
VNN1 O95497 3/20 0.34
DHFR P00374 1/20 0.34
MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL6563676 0.83 NAMPT (0.42) PPARGPPARAPPARDPTPN11
SCHEMBL6561914 0.81 GRM5 (0.43) GRM5VNN1DHFR
SCHEMBL6563536 0.80 PPARG (0.39) PPARGPPARAPPARDPTPN11PTPRB
SCHEMBL6563070 0.79 PTPN11 (0.44) PPARGPPARAPPARDPTPN11
SCHEMBL7677085 0.77 VNN1 (0.46) GRM5VNN1
SCHEMBL6563355 0.77 PTPN11 (0.47) PPARGPPARAPPARDPTPN11
SCHEMBL6565434 0.76 PTPN11 (0.41) PPARGPPARAPPARDPTPN11
SCHEMBL7158402 0.73 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL6563323 0.73 MAPT (0.38) PPARGPPARAPPARDPTPN11
SCHEMBL6563283 0.73 PTPN11 (0.46) PTPN11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed