Ethylene

Ethylene

SCHEMBL11072035

C=C.COc1cccc(C2(N(C)C)CCC(=O)CC2)c1

nearest known ligand 0.48

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.48
OPRL1 P41146 7/20 0.48
KDM1A O60341 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
ALOX5 P09917 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC22A1 O15245 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.41
HSD11B1 P28845 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
SCHEMBL1045605 0.97 OPRM1 (0.50) OPRM1OPRL1KDM1ASIGMAR1ALOX5
SCHEMBL30404322 0.97 OPRM1 (0.50) OPRM1OPRL1KDM1ASIGMAR1ALOX5
Ethylene SCHEMBL11097079 0.81 KDM1A (0.47) OPRM1OPRL1KDM1ASIGMAR1ALOX5
SCHEMBL11081467 0.81 OPRM1 (0.50) OPRM1OPRL1KDM1ASIGMAR1ALOX5
Ethylene SCHEMBL11096905 0.81 OPRL1 (0.45) OPRM1OPRL1OPRD1OPRK1KMT2A
SCHEMBL11070774 0.81 CYP3A4 (0.45) OPRM1OPRL1ALOX5KMT2AMEN1
SCHEMBL22538479 0.80 OPRM1 (0.54) OPRM1OPRL1KDM1ASLC6A2SLC6A4
SCHEMBL11093745 0.80 ALOX5 (0.44) OPRM1OPRL1ALOX5SLC6A2SLC6A4
Ethylene SCHEMBL10832290 0.79 OPRD1 (0.41) OPRM1OPRL1SIGMAR1SLC6A2SLC6A4
Ethylene SCHEMBL11079878 0.79 HDAC3 (0.43) OPRM1OPRL1KDM1ASIGMAR1ALOX5

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-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed