SCHEMBL17445757

SCHEMBL17445757

CCCCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cc2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.63
S1PR1 P21453 2/20 0.55
S1PR3 Q99500 2/20 0.55
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
PTPN11 Q06124 4/20 0.52
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
CNR2 P34972 2/20 0.45
HTR2A P28223 1/20 0.44
PDK2 Q15119 1/20 0.43

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
SCHEMBL9493683 0.96 RARB (0.58) RARBS1PR1S1PR3MEN1USP2
SCHEMBL9494727 0.96 RARB (0.58) RARBS1PR1S1PR3MEN1USP2
SCHEMBL9513744 0.92 RARB (0.60) RARBS1PR1S1PR3MEN1USP2
SCHEMBL9496973 0.90 RARB (0.57) RARBS1PR1S1PR3MEN1USP2
SCHEMBL9247693 0.90 PTPN11 (0.54) RARBS1PR1S1PR3CYP3A4PTPN11
SCHEMBL9244788 0.90 PTPN11 (0.54) RARBS1PR1S1PR3CYP3A4PTPN11
SCHEMBL10527538 0.90 RARB (0.57) RARBS1PR1S1PR3MEN1USP2
SCHEMBL10529774 0.90 RARB (0.57) RARBS1PR1S1PR3MEN1USP2
SCHEMBL7735955 0.89 RARB (0.53) RARBS1PR1S1PR3MEN1USP2
SCHEMBL16582536 0.89 RARB (0.49) RARBS1PR1S1PR3MEN1USP2

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
US-20160017226-A1 LIQUID-CRYSTAL OPTICAL MODULATION ELEMENT DIC CORPORATION (JP) 2016-01-21 US disclosed