SCHEMBL9333085

SCHEMBL9333085

CCCCC#Cc1ccc(C#Cc2ccc(-c3ccc(CC)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
TNK2 Q07912 1/20 0.47
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
CYP2A6 P11509 1/20 0.41
KCNH2 Q12809 2/20 0.39
ACACB O00763 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CHRNA7 P36544 2/20 0.37
CHRNA10 Q9GZZ6 2/20 0.37
CHRNA9 Q9UGM1 2/20 0.37
BDKRB2 P30411 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL9332515 0.95 FFAR1 (0.53) FFAR1FFAR4TNK2MMP2MMP12
SCHEMBL8040007 0.90 TSHR (0.41) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9335303 0.89 CYP2A6 (0.44) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9335384 0.89 FFAR1 (0.59) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9332983 0.88 FFAR1 (0.55) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9333588 0.88 FFAR1 (0.55) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9333090 0.88 FFAR1 (0.61) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9335934 0.88 FFAR1 (0.61) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9332907 0.88 FFAR1 (0.61) FFAR1FFAR4TNK2TSHRHSD17B10
SCHEMBL9332699 0.87 HSD17B10 (0.59) FFAR1FFAR4TNK2TSHRHSD17B10

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