SCHEMBL9335384

SCHEMBL9335384

CCCCCC#Cc1ccc(C#Cc2ccc(CC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50
KCNH2 Q12809 5/20 0.49
TNK2 Q07912 1/20 0.46
CYP2A6 P11509 1/20 0.44
ACACB O00763 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GGPS1 O95749 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL9335934 0.98 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9332907 0.98 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9333090 0.98 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9332515 0.94 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9333085 0.89 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9333457 0.87 FFAR1 (0.66) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9333118 0.87 FFAR1 (0.66) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9335782 0.87 FFAR1 (0.66) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9335892 0.86 CYP2A6 (0.48) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886652 0.86 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2

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