SCHEMBL9510160

SCHEMBL9510160

CCOc1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
NQO1 P15559 1/20 0.52
ACACB O00763 14/20 0.49
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
CACNA2D1 P54289 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2056242 0.90 L3MBTL1 (0.67) L3MBTL1NQO1MAOBAOC3CACNA2D1
SCHEMBL9816286 0.87 ACACB (0.52) L3MBTL1NQO1ACACBCACNA2D1
SCHEMBL28659226 0.86 ACACB (0.50) L3MBTL1ACACBMAOBAOC3TSHR
SCHEMBL9512274 0.86 ACACB (0.50) L3MBTL1ACACBMAOBAOC3
SCHEMBL9509479 0.86 ACACB (0.47) L3MBTL1ACACBMAOBAOC3TSHR
SCHEMBL9509352 0.85 ACACB (0.56) L3MBTL1ACACBMAOBAOC3TSHR
SCHEMBL31160399 0.84 NQO1 (0.74) NQO1ACACBTSHRTDP1
SCHEMBL9511484 0.83 NR5A1 (0.49) L3MBTL1ACACBTSHR
SCHEMBL9156035 0.82 ACACB (0.45) L3MBTL1NQO1ACACB
SCHEMBL9510195 0.82 NR5A1 (0.51) L3MBTL1ACACBTSHR

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 claimed