SCHEMBL10488192

SCHEMBL10488192

CCSc1ccc(CCOCCCCCC(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAOA P21397 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CES2 O00748 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL9763650 0.86 MMP12 (0.38) SLC6A4FAAHALDH1A1
SCHEMBL9763470 0.80 SLC6A4 (0.38) SLC6A4ALDH1A1MAOANPC1RAB9A
SCHEMBL9574244 0.80 RAB9A (0.42) FAAHALDH1A1RAB9A
SCHEMBL9574159 0.80 ALDH1A1 (0.58) FAAHALDH1A1
SCHEMBL10477857 0.79 F2RL1 (0.50) ALDH1A1MAOANPC1RAB9A
SCHEMBL9763063 0.78 HDAC1 (0.50) ALDH1A1NPC1RAB9A
SCHEMBL9763373 0.76 TSHR (0.46) ALDH1A1RAB9A
SCHEMBL9574194 0.74 MAPT (0.59) FAAHALDH1A1
SCHEMBL9574216 0.73 TDP1 (0.54) MAOANPC1RAB9A
SCHEMBL9574169 0.72 ALDH1A1 (0.59) FAAHALDH1A1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed