SCHEMBL18314263

SCHEMBL18314263

CCCCCCCCOc1c(F)cc(-c2ccc(C)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.40
CNR2 P34972 1/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
PTPN11 Q06124 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
THRB P10828 3/20 0.37
THRA P10827 2/20 0.37
NR5A1 Q13285 1/20 0.37
LTB4R Q15722 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL16428906 0.86 SOAT1 (0.47) RARBRARARARGPTPN11FFAR4
SCHEMBL9399803 0.85 RARB (0.57) RARBRARARARGHRH3TSHR
SCHEMBL9399219 0.85 RARB (0.57) RARBRARARARGHRH3TSHR
SCHEMBL18314304 0.84 FFAR4 (0.39) RARBRARARARGPTPN11FFAR4
SCHEMBL17806146 0.83 THRA (0.42) THRBTHRANR5A1TSHRS1PR1
SCHEMBL10978244 0.83 PTPN11 (0.49) RARBRARARARGPTPN11THRB
SCHEMBL10979375 0.83 PTPN11 (0.49) RARBRARARARGPTPN11THRB
SCHEMBL10978234 0.83 PTPN11 (0.49) RARBRARARARGPTPN11THRB
SCHEMBL19423207 0.83 RARB (0.41) RARBCNR2PTPN11THRBTHRA
SCHEMBL19423232 0.83 RARB (0.41) RARBCNR2PTPN11THRBTHRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201283-A1 ANTIFUNGAL AGENTS CIDARA THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed