SCHEMBL9333395

SCHEMBL9333395

CCCCC#Cc1ccc(C#Cc2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.52
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MCHR1 Q99705 1/20 0.45
KCNH2 Q12809 1/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
TNK2 Q07912 1/20 0.42
CTSL P07711 1/20 0.41

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
SCHEMBL9334200 0.98 APP (0.48) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9333433 0.95 APP (0.50) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9333096 0.93 FFAR1 (0.51) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9332966 0.93 FFAR1 (0.51) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9335229 0.93 FFAR1 (0.51) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9336817 0.91 FFAR1 (0.52) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9333484 0.89 APP (0.55) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9333042 0.87 LTA4H (0.47) CYP3A4TSHRMCHR1FFAR1FFAR4
SCHEMBL14085288 0.87 APP (0.52) APPCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8040012 0.87 APP (0.46) APPCYP3A4CYP2C9CYP2C19ALDH1A1

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-0377516-B1 Liquid crystal compounds having high optical anisotropy CHISSO CORP (JP) 1994-05-04 EP disclosed
US-5154851-A LIQUID CRYSTAL COMPOUND HAVING LARGE OPTICAL ANISOTROPY VALUE CHISSO CORPORATION (JP) 1992-10-13 US disclosed
EP-0377516-A2 Liquid crystal compounds having high optical anisotropy Chisso Corporation (JP) 1990-07-11 EP disclosed