SCHEMBL9060992

SCHEMBL9060992

CCCCc1ccc(-c2ccc(OC(F)F)cc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
PPARA Q07869 6/20 0.43
RARB P10826 3/20 0.43
BRS3 P32247 2/20 0.42
PSMB5 P28074 1/20 0.41
PPARG P37231 3/20 0.41
PTPN1 P18031 1/20 0.39
MPL P40238 1/20 0.39
DHODH Q02127 1/20 0.39
DAGLA Q9Y4D2 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
SCHEMBL9060741 0.96 PPARA (0.47) HSD11B1PPARARARBPPARGPTPN1
SCHEMBL9061670 0.95 RARB (0.49) HSD11B1PPARARARBPTPN1
SCHEMBL9061533 0.95 RARB (0.49) HSD11B1PPARARARBPTPN1
SCHEMBL9062058 0.95 RARB (0.49) HSD11B1PPARARARBPTPN1
SCHEMBL9061547 0.95 RARB (0.49) HSD11B1PPARARARBPTPN1
SCHEMBL9061026 0.95 RARB (0.49) HSD11B1PPARARARBPTPN1
SCHEMBL9061315 0.92 PPARA (0.44) PPARAPPARGDAGLA
SCHEMBL8377179 0.89 PPARA (0.47) HSD11B1PPARARARBPSMB5PPARG
SCHEMBL9060997 0.88 PSMB5 (0.45) PPARAPSMB5PPARG
SCHEMBL9060317 0.87 PPARG (0.46) PPARAPPARGDAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0381728-B1 DIFLUOROMETHYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed