SCHEMBL9900697

SCHEMBL9900697

CCCCOc1c(N(C)C)ccc(C(=O)O)c1CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
RARA P10276 1/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 2/20 0.38
PTPN11 Q06124 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
MCL1 Q07820 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10597594 0.89 CNR2 (0.41) RARBRARACNR2TP53TSHR
Trolamine SCHEMBL28679951 0.81 CNR2 (0.36) RARBRARACNR2TP53TSHR
SCHEMBL2783784 0.77 PPARA (0.48) RARBRARAMCL1PPARGPPARA
SCHEMBL5954933 0.77 PPARA (0.48) RARBRARAMCL1PPARGPPARA
SCHEMBL2586587 0.77 ALDH1A1 (0.42) TP53TSHRPPARGPPARAKDM4E
SCHEMBL12697313 0.77 TSHR (0.51) RARBRARACNR2TP53TSHR
SCHEMBL5889262 0.75 GRM2 (0.44) PTPN11THRATHRBPPARGPPARA
SCHEMBL25432945 0.73 GAA (0.38) RARBRARAPTPN11MCL1KDM4E
SCHEMBL12310835 0.72 S1PR3 (0.46) PTPN11
SCHEMBL25438049 0.72 CNR2 (0.45) RARBRARACNR2TP53TSHR

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
US-20130303431-A1 VISUALLY PERCEIVABLE IMAGE-FORMING DYE SCAVENGING ARTICLE ISP INVESTMENTS INC. (US) 2013-11-14 US claimed
WO-2012078950-A1 A VISUALLY PERCEIVABLE IMAGE-FORMING DYE SCAVENGING ARTICLE ISP INVESTMENTS INC. (US) 2012-06-14 WO claimed