SCHEMBL20004831

SCHEMBL20004831

CCCCOc1ccc2cc(-c3ccc(C#Cc4c(F)cc(-c5cc(F)c(/C(F)=C(\F)c6c(F)cc(C)cc6F)c(F)c5)cc4OC)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
MCHR1 Q99705 2/20 0.35
ACACB O00763 4/20 0.35
ABCB1 P08183 2/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 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
SCHEMBL19999593 0.92 RARA (0.39) ERN1RARARARBMCHR1ACACB
SCHEMBL20005290 0.90 ERN1 (0.41) ERN1MCHR1ACACBMAOBMAOA
SCHEMBL20004857 0.87 RARA (0.40) ERN1RARARARBMCHR1ABCB1
SCHEMBL20004775 0.87 ERN1 (0.40) ERN1RARARARBMCHR1ACACB
SCHEMBL20005217 0.84 ERN1 (0.37) ERN1RARARARBMCHR1ACACB
SCHEMBL19999493 0.84 RARA (0.35) ERN1RARARARBMCHR1ACACB
SCHEMBL20004687 0.84 RARA (0.37) ERN1RARARARBMCHR1ACACB
SCHEMBL19999458 0.82 RARA (0.42) ERN1RARARARBMCHR1ACACB
SCHEMBL20005283 0.82 ERN1 (0.38) ERN1RARARARBMCHR1ACACB
SCHEMBL19999497 0.82 ERN1 (0.40) ERN1MCHR1ACACBMAOBMAOA

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