SCHEMBL8628856

SCHEMBL8628856

CCOC(=O)CN(Cc1ccco1)Cc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RIPK1 Q13546 1/20 0.47
ALOX5 P09917 1/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2837947 0.84 TRPM8 (0.52) TRPM8ALDH1A1MAPTPOLB
SCHEMBL6778618 0.84 PPARA (0.50) RIPK1POLB
SCHEMBL6775901 0.82 PPARA (0.68) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL6785304 0.81 PPARA (0.44) MAPTRIPK1POLB
SCHEMBL4888008 0.81 PPARA (0.48) MAPTPOLB
SCHEMBL7218857 0.80 PPARA (0.47) ALDH1A1MAPTPOLB
SCHEMBL1645027 0.79 ALDH1A1 (0.54) TRPM8ALDH1A1MAPTTSHRHTT
SCHEMBL5224390 0.79 PPARA (0.42) MAPTPOLB
SCHEMBL11884379 0.78 THRA (0.53) TRPM8ALDH1A1MAPTRIPK1ALOX5
SCHEMBL64663 0.76 ALDH1A1 (0.51) TRPM8ALDH1A1MAPTTSHRPOLB

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-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed
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