SCHEMBL9487153

SCHEMBL9487153

CCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPL P40238 9/20 0.41
RARB P10826 3/20 0.40
CHKA P35790 1/20 0.39
HSD11B1 P28845 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TYR P14679 1/20 0.37
ALOX5 P09917 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
SCHEMBL12717003 0.98 MPL (0.40) MPLRARBCHKAHSD11B1CTSL
SCHEMBL12740084 0.98 MPL (0.40) MPLRARBCHKAHSD11B1CTSL
SCHEMBL22131040 0.97 MPL (0.41) MPLRARBCHKAHSD11B1CTSL
SCHEMBL9485788 0.95 MPL (0.43) MPLRARBCHKAHSD11B1CTSL
SCHEMBL9485527 0.95 RARB (0.45) MPLRARBCHKAHSD11B1TYR
SCHEMBL12994336 0.95 MPL (0.40) MPLRARBCHKAHSD11B1CTSL
SCHEMBL12740085 0.94 RARB (0.44) MPLRARBCHKAHSD11B1TYR
SCHEMBL9486110 0.94 RARB (0.47) RARBCHKAHSD11B1TYRALOX5
SCHEMBL9486681 0.94 RARB (0.47) RARBCHKAHSD11B1TYRALOX5
SCHEMBL9486821 0.94 RARB (0.47) RARBCHKAHSD11B1TYRALOX5

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-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US claimed
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed