SCHEMBL8041006

SCHEMBL8041006

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
CYP2C9 P11712 1/20 0.39
SPHK2 Q9NRA0 7/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8042743 0.99 SPHK1 (0.44) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL8029221 0.90 SPHK1 (0.42) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL9333671 0.90 GABRP (0.43) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL8042560 0.89 SPHK1 (0.44) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL9332680 0.88 GABRP (0.42) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL9335953 0.88 GABRP (0.42) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL9333523 0.88 GABRP (0.42) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL10986599 0.88 GABRP (0.44) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL10986602 0.88 GABRP (0.44) SPHK1CYP2C9SPHK2MEN1KMT2A
SCHEMBL10980768 0.87 GABRP (0.43) SPHK1CYP2C9SPHK2MEN1KMT2A

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