SCHEMBL17565192

SCHEMBL17565192

CCCCCCCCCCCCc1cc(C)c(OCCO)c(C(c2cc(CCCCCCCCCCCC)cc(C)c2OCCO)C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
CNR1 P21554 9/20 0.39
CNR2 P34972 8/20 0.39
PTGS2 P35354 3/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
THRA P10827 2/20 0.36
THRB P10828 2/20 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
SCHEMBL17565191 0.86 CYP3A4 (0.41) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL8681846 0.84 CYP3A4 (0.47) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL17565187 0.81 MEN1 (0.38) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL17565207 0.80 MEN1 (0.37) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL17565210 0.80 HTR1A (0.47) MEN1ALDH1A1LMNAKMT2AS1PR1
SCHEMBL17565180 0.79 CYP3A4 (0.44) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL17565184 0.78 MEN1 (0.38) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL17565199 0.77 CYP3A4 (0.42) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL14547492 0.73 ESR1 (0.38) MEN1ALDH1A1LMNAKMT2APTGS2
SCHEMBL8687001 0.73 THRA (0.40) MEN1ALDH1A1KMT2AS1PR2S1PR1

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-20160071992-A1 BACK SHEET FOR SOLAR CELLS AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-03-10 US disclosed