SCHEMBL9335331

SCHEMBL9335331

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
TSHR P16473 1/20 0.62
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
RARB P10826 8/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
RARA P10276 2/20 0.49
MTOR P42345 1/20 0.49
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9335925 1.00 HSD17B10 (0.62) HSD17B10TSHRFFAR1FFAR4RARB
SCHEMBL9335360 1.00 HSD17B10 (0.62) HSD17B10TSHRFFAR1FFAR4RARB
SCHEMBL9332699 0.98 HSD17B10 (0.59) HSD17B10TSHRFFAR1FFAR4RARB
SCHEMBL9335824 0.95 FFAR1 (0.64) HSD17B10TSHRFFAR1FFAR4ALDH1A1
SCHEMBL9332906 0.95 FFAR1 (0.64) HSD17B10TSHRFFAR1FFAR4ALDH1A1
SCHEMBL9332717 0.95 FFAR1 (0.64) HSD17B10TSHRFFAR1FFAR4ALDH1A1
SCHEMBL9333071 0.94 HSD17B10 (0.62) HSD17B10TSHRFFAR1FFAR4RARB
SCHEMBL9335897 0.94 HSD17B10 (0.62) HSD17B10TSHRFFAR1FFAR4RARB
SCHEMBL9333061 0.94 HSD17B10 (0.62) HSD17B10TSHRFFAR1FFAR4RARB
SCHEMBL9333588 0.94 FFAR1 (0.55) HSD17B10TSHRFFAR1FFAR4RARB

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