SCHEMBL9333386

SCHEMBL9333386

CCC#Cc1ccc(C#Cc2ccc(-c3ccc(CCCC)cc3)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.44
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FFAR1 O14842 4/20 0.39
FFAR4 Q5NUL3 2/20 0.39
ACACB O00763 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MAPT P10636 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL9332551 0.96 RARB (0.49) RARBRARARARGTSHRHSD17B10
SCHEMBL9332689 0.92 FFAR1 (0.40) RARBRARARARGTSHRHSD17B10
SCHEMBL9333091 0.91 RARB (0.43) RARBRARARARGTSHRHSD17B10
SCHEMBL19999361 0.91 RARB (0.47) RARBRARARARGTSHRHSD17B10
SCHEMBL9333078 0.89 RARB (0.45) RARBRARARARGTSHRHSD17B10
SCHEMBL20005241 0.89 RARB (0.45) RARBRARARARGTSHRHSD17B10
SCHEMBL9333509 0.88 RARB (0.48) RARBRARARARGTSHRHSD17B10
SCHEMBL11996420 0.85 FFAR1 (0.45) RARBRARARARGTSHRHSD17B10
SCHEMBL9335385 0.85 HSD17B10 (0.54) RARBRARATSHRHSD17B10FFAR1
SCHEMBL9333556 0.85 RARB (0.50) RARBRARARARGTSHRHSD17B10

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 2 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