SCHEMBL8748519

SCHEMBL8748519

COc1ccc(N(Cc2ccco2)Cc2ccc(C)o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8632136 0.89 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKDM4EESR2
SCHEMBL8630613 0.81 CNR1 (0.48) CNR1CNR2ALDH1A1LMNAGAA
SCHEMBL8629617 0.73 ALDH1A1 (0.41) ALDH1A1LMNAMAPTTSHRKDM4E
SCHEMBL8628489 0.73 EGFR (0.44) ALDH1A1LMNAMAPTTSHRKDM4E
SCHEMBL8632559 0.73 POLB (0.50) ALDH1A1LMNAMAPTTP53TSHR
SCHEMBL8659550 0.73 POLB (0.50) ALDH1A1LMNAMAPTTSHR
SCHEMBL1390801 0.73 MEN1 (0.62) ALDH1A1LMNAGAAL3MBTL1MAPT
SCHEMBL8635317 0.71 PDGFRB (0.42) ALDH1A1LMNATSHRKDM4E
SCHEMBL9823243 0.69 ALDH1A1 (0.47) CNR1CNR2ALDH1A1LMNAGAA
SCHEMBL8630615 0.69 CNR1 (0.45) CNR1CNR2ALDH1A1LMNAGAA

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
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed