SCHEMBL9853549

SCHEMBL9853549

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)CC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
PLA2G1B P04054 1/20 0.52
PLA2G2A P14555 1/20 0.52
SPHK1 Q9NYA1 2/20 0.50
S1PR2 O95136 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
TP53 P04637 2/20 0.43
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6287364 1.00 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
SCHEMBL9202680 1.00 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
SCHEMBL4937957 1.00 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
SCHEMBL9205688 1.00 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
SCHEMBL10889904 1.00 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
SCHEMBL10754492 1.00 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
SCHEMBL3951487 1.00 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
SCHEMBL10820856 0.98 OPRM1 (0.56) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
Hydrochloric Acid SCHEMBL10422572 0.95 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2
Hydrochloric Acid SCHEMBL10422573 0.95 OPRM1 (0.54) OPRM1PLA2G1BPLA2G2ASPHK1S1PR2

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-0426084-A1 Amine oxide process ETHYL CORPORATION (US) 1991-05-08 EP disclosed