SCHEMBL8046370

SCHEMBL8046370

CC#CCCc1ccc(C#Cc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.53
TAAR1 Q96RJ0 1/20 0.46
AOC3 Q16853 3/20 0.45
ACACB O00763 1/20 0.43
FFAR1 O14842 1/20 0.43
KCNH2 Q12809 1/20 0.42
MAOB P27338 2/20 0.42
CALM1 P0DP23 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
IDO1 P14902 1/20 0.40
F2RL1 P55085 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL8046443 0.84 APP (0.58) APPTAAR1AOC3ACACBFFAR1
SCHEMBL8029213 0.81 ACACB (0.44) ACACBFFAR1KCNH2
SCHEMBL8029216 0.80 APP (0.53) APPACACBFFAR1KCNH2MAOB
SCHEMBL7511210 0.79 APP (0.55) APPTAAR1AOC3ACACBFFAR1
SCHEMBL8029347 0.77 CYP2A6 (0.40) TAAR1ACACBFFAR1KCNH2
SCHEMBL8040821 0.77 HSD17B10 (0.49) FFAR1KCNH2
SCHEMBL8069381 0.76 CALM1 (0.53) APPTAAR1AOC3ACACBCALM1
SCHEMBL9333443 0.76 APP (0.72) APPACACBKCNH2MCHR1
SCHEMBL8029380 0.75 APP (0.47) APPTAAR1AOC3ACACBFFAR1
SCHEMBL8029382 0.75 APP (0.47) APPTAAR1AOC3ACACBFFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed