SCHEMBL8064136

SCHEMBL8064136

CC(C)(C)NN(Cc1ccoc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
HCAR3 P49019 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
AKT1 P31749 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TSHR P16473 1/20 0.34
CETP P11597 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3323146 0.80 AKT1 (0.50) AKT1ALDH1A1RECQLNPC1RAB9A
SCHEMBL8079386 0.73 RIPK1 (0.50) ALOX5ALDH1A1TSHR
SCHEMBL12265807 0.70 ALOX5 (0.50) ALOX5HCAR3TRPM8CHRM2CHRM1
SCHEMBL6235763 0.70 RIPK1 (0.50) TRPM8ALDH1A1TSHR
SCHEMBL8337464 0.70 GAA (0.43) ALDH1A1TSHRRECQL
SCHEMBL6436472 0.67 ALOX5 (0.42) ALOX5HCAR3TRPM8ALDH1A1SLC1A3
SCHEMBL3878505 0.67
SCHEMBL8805886 0.67 ALOX5 (0.63) ALOX5HCAR3TRPM8CHRM2CHRM1
SCHEMBL20136057 0.67 NPC1 (0.47) ALOX5ALDH1A1RECQLNPC1RAB9A
SCHEMBL13992431 0.67 ALOX5 (0.46) ALOX5HCAR3TRPM8CHRM2CHRM1

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-6103721-A TREATMENT OF STROKE ANOXIA; ANTIHYPERGLYCEMIC,-ISCHEMIC AND -EPILEPTIC AGENTS ZENECA LIMITED (GB) 2000-08-15 US disclosed