SCHEMBL8042743

SCHEMBL8042743

CCC#CCc1ccc(C#Cc2ccc(C3CCC(CCCCCC)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.44
SPHK2 Q9NRA0 7/20 0.39
CYP2C9 P11712 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 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
SCHEMBL8041006 0.99 SPHK1 (0.42) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL8042560 0.90 SPHK1 (0.44) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9332680 0.90 GABRP (0.42) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9333523 0.90 GABRP (0.42) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL9335953 0.90 GABRP (0.42) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL8029221 0.89 SPHK1 (0.42) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL10987493 0.89 GABRP (0.43) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL10980764 0.89 GABRP (0.43) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL10980768 0.89 GABRP (0.43) SPHK1SPHK2CYP2C9MAPTALDH1A1
SCHEMBL10987488 0.89 GABRP (0.43) SPHK1SPHK2CYP2C9MAPTALDH1A1

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