SCHEMBL20005290

SCHEMBL20005290

CCCOc1ccc(C#Cc2c(F)cc(-c3cc(F)c(/C(F)=C(\F)c4c(F)cc(C)cc4F)c(F)c3)cc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
ACACB O00763 10/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL20004831 0.90 ERN1 (0.38) ERN1ACACBTUBB4ATUBBTUBA3C
SCHEMBL19999497 0.90 ERN1 (0.40) ERN1ACACBTUBB4ATUBBTUBA3C
SCHEMBL19999373 0.88 TUBB4A (0.45) ERN1ACACBTUBB4ATUBBTUBA3C
SCHEMBL19999593 0.81 RARA (0.39) ERN1ACACBMAOBMAOAMCHR1
SCHEMBL19999386 0.78 MCHR1 (0.40) ERN1ACACBTUBB4ATUBBTUBA3C
SCHEMBL20005203 0.78 ACACB (0.45) ACACBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20004775 0.78 ERN1 (0.40) ERN1ACACBTUBB4ATUBBTUBA3C
SCHEMBL20004857 0.78 RARA (0.40) ERN1MAOBMAOAMCHR1
SCHEMBL19999493 0.76 RARA (0.35) ERN1ACACBTUBB4ATUBBTUBA3C
SCHEMBL20005217 0.74 ERN1 (0.37) ERN1ACACBTUBB4ATUBBTUBA3C

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-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed