SCHEMBL8029224

SCHEMBL8029224

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 2/20 0.49
KCNH2 Q12809 5/20 0.43
CYP2A6 P11509 1/20 0.41
TNK2 Q07912 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ACACB O00763 3/20 0.38

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
SCHEMBL8039976 0.88 FFAR1 (0.43) FFAR1FFAR4KCNH2CYP2A6TNK2
SCHEMBL9332515 0.87 FFAR1 (0.53) FFAR1FFAR4KCNH2CYP2A6TNK2
SCHEMBL9327891 0.83 HSD17B10 (0.49) FFAR1FFAR4CYP2A6TSHRHSD17B10
SCHEMBL8040007 0.83 TSHR (0.41) FFAR1FFAR4KCNH2CYP2A6TNK2
SCHEMBL9333085 0.83 FFAR1 (0.49) FFAR1FFAR4KCNH2CYP2A6TNK2
SCHEMBL8041082 0.83 FFAR1 (0.49) FFAR1FFAR4KCNH2TNK2TSHR
SCHEMBL9335384 0.82 FFAR1 (0.59) FFAR1FFAR4KCNH2CYP2A6TNK2
SCHEMBL9333577 0.82 FFAR1 (0.59) FFAR1FFAR4KCNH2TNK2TSHR
SCHEMBL9333032 0.82 FFAR1 (0.59) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9512216 0.82 HSD17B10 (0.47) FFAR1FFAR4CYP2A6TSHRHSD17B10

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