SCHEMBL9333441

SCHEMBL9333441

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
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
ADRB3 P13945 1/20 0.50
HTR2C P28335 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
SCHEMBL9332893 1.00 FFAR1 (0.60) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9335365 1.00 FFAR1 (0.60) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9332953 0.98 FFAR1 (0.57) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9333071 0.95 HSD17B10 (0.62) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9333061 0.95 HSD17B10 (0.62) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9335897 0.95 HSD17B10 (0.62) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9332939 0.93 HSD17B10 (0.59) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9332901 0.93 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9332528 0.93 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRESR1
SCHEMBL9333536 0.93 FFAR1 (0.68) FFAR1FFAR4HSD17B10TSHRESR1

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