SCHEMBL9511434

SCHEMBL9511434

CCCc1ccc(C#Cc2ccc(OC)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
MCHR1 Q99705 3/20 0.42
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ACACB O00763 7/20 0.34
ALOX5 P09917 1/20 0.34
MAOB P27338 1/20 0.33
AOC3 Q16853 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
SCHEMBL9511459 0.92 APP (0.41) APPMCHR1KCNH2MAPTMTNR1A
SCHEMBL9509991 0.91 APP (0.40) APPMCHR1KCNH2MAPTMTNR1A
SCHEMBL10527260 0.89 MTNR1A (0.36) APPMCHR1KCNH2MAPTMTNR1A
SCHEMBL9508844 0.89 ACACB (0.40) ACACB
SCHEMBL9509471 0.88 APP (0.45) APPMCHR1KCNH2MAPTMTNR1A
SCHEMBL9510156 0.87 ACACB (0.39) MCHR1ACACB
SCHEMBL9512429 0.87 ACACB (0.43) MCHR1ACACB
SCHEMBL7859812 0.85 FFAR1 (0.37) KCNH2MAPT
SCHEMBL9510227 0.85 NR5A1 (0.41) MCHR1ACACB
SCHEMBL7857686 0.85 ACACB (0.39) ACACBMAOBAOC3

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