SCHEMBL9335403

SCHEMBL9335403

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.68
FFAR4 Q5NUL3 1/20 0.68
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
MMP2 P08253 1/20 0.51
MMP12 P39900 1/20 0.51
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50

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
SCHEMBL9335810 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9335317 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9335908 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9732855 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9333590 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9332901 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9332979 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9333536 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9332528 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2
SCHEMBL9333586 1.00 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRMMP2

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