SCHEMBL8623639

SCHEMBL8623639

CCC/C=C/c1ccc(C#Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.42
ACACB O00763 5/20 0.41
FFAR1 O14842 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
THRB P10828 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL8623641 1.00 TNNC1 (0.42) TNNC1ACACBFFAR1KDM4EMITF
SCHEMBL27618886 0.89 TNNC1 (0.48) TNNC1KDM4EMITFALDH1A1HPGD
SCHEMBL8622908 0.89 FFAR1 (0.43) TNNC1FFAR1
SCHEMBL8622912 0.89 FFAR1 (0.43) TNNC1FFAR1
SCHEMBL7237164 0.88 TNNC1 (0.47) TNNC1KDM4EMITFALDH1A1HPGD
SCHEMBL7237159 0.88 TNNC1 (0.47) TNNC1KDM4EMITFALDH1A1HPGD
SCHEMBL8619168 0.85 ACACB (0.36) TNNC1ACACBFFAR1KDM4EMITF
SCHEMBL8619164 0.85 ACACB (0.36) TNNC1ACACBFFAR1KDM4EMITF
SCHEMBL7240672 0.84 TNNC1 (0.44) TNNC1KDM4EMITFALDH1A1HPGD
SCHEMBL7228828 0.84 TNNC1 (0.48) TNNC1KDM4EMITFALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8073381-A None JP disclosed
JP-8099917-A None JP disclosed
EP-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
JP-H0899917-A TOLAN COMPOUND, ITS PRODUCTION, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT AND LIQUID CRYSTAL ELEMENT USING THE SAME SUMITOMO CHEM CO LTD 1996-04-16 JP disclosed
JP-H0873381-A PRODUCTION OF TOLAN COMPOUND SUMITOMO CHEM CO LTD 1996-03-19 JP disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed