SCHEMBL9486644

SCHEMBL9486644

CCCc1ccc(CCc2ccc(-c3ccc(CCC)cc3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MPL P40238 4/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
MCL1 Q07820 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9487026 0.97 CTSL (0.43) CHKACTSLCTSSCTSKMPL
SCHEMBL12735528 0.95 CTSL (0.40) CHKACTSLCTSSCTSKMPL
SCHEMBL9485892 0.95 CHKA (0.39) CHKACTSLCTSSCTSKMPL
SCHEMBL12740082 0.95 CTSL (0.40) CHKACTSLCTSSCTSKMPL
SCHEMBL11996379 0.95 CHKA (0.39) CHKACTSLCTSSCTSKMPL
SCHEMBL9563683 0.95 CTSL (0.43) CHKACTSLCTSSCTSKMPL
SCHEMBL12740084 0.94 MPL (0.40) CHKACTSLCTSSCTSKMPL
SCHEMBL12717003 0.94 MPL (0.40) CHKACTSLCTSSCTSKMPL
SCHEMBL9485788 0.94 MPL (0.43) CHKACTSLCTSSCTSKMPL
SCHEMBL9495316 0.93 CTSL (0.43) CHKACTSLCTSSCTSKMPL

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
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US claimed
US-8252201-B1 Liquid crystalline medium Military University of Technology (PL) 2012-08-28 US disclosed