SCHEMBL9508900

SCHEMBL9508900

CCCCCc1ccc(C#Cc2ccc(OCC)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACB O00763 14/20 0.38
NQO1 P15559 1/20 0.37
CNR2 P34972 2/20 0.34
TSHR P16473 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 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
SCHEMBL9512376 0.96 ACACB (0.39) MAPTRAB9AL3MBTL1ACACBNQO1
SCHEMBL9512426 0.93 CNR2 (0.40) L3MBTL1ACACBCNR2CYSLTR2CYSLTR1
SCHEMBL10511640 0.93 MAPT (0.37) MAPTRAB9AL3MBTL1ACACBTSHR
SCHEMBL9512534 0.92 CNR2 (0.42) L3MBTL1CNR2CYSLTR2CYSLTR1
SCHEMBL9511360 0.91 ACACB (0.41) ACACBCNR2CYSLTR2CYSLTR1
SCHEMBL9508844 0.91 ACACB (0.40) ACACBNQO1
SCHEMBL9509991 0.90 APP (0.40) MAPTTSHRCYSLTR2CYSLTR1
SCHEMBL9512289 0.89 ACACB (0.39) L3MBTL1ACACBCNR2CYSLTR2CYSLTR1
SCHEMBL10302771 0.89 FFAR4 (0.38) MAPTRAB9AL3MBTL1ACACBCNR2
SCHEMBL9510227 0.87 NR5A1 (0.41) L3MBTL1ACACBCNR2TSHRCYSLTR2

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed