SCHEMBL11067153

SCHEMBL11067153

CN(CCC1CCCCC1)C1(c2cccc(OCc3ccccc3)c2)CCC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
KDM1A O60341 2/20 0.42
OPRM1 P35372 4/20 0.41
OPRL1 P41146 4/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ADAM17 P78536 2/20 0.39
HPD P32754 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
Ethylene SCHEMBL11552453 0.89 ALOX5 (0.45) ALOX5KDM1AOPRM1OPRL1MAOA
Ethylene SCHEMBL11557589 0.88 ALOX5 (0.46) ALOX5KDM1AOPRM1OPRL1MAOA
SCHEMBL11077877 0.85 ALOX5 (0.48) ALOX5KDM1AOPRM1OPRL1MAOA
SCHEMBL11070037 0.85 ALOX5 (0.50) ALOX5KDM1AOPRM1OPRL1MAOB
SCHEMBL11120660 0.84 ALOX5 (0.49) ALOX5KDM1AMAOAMAOBADAM17
SCHEMBL11069457 0.83 OPRM1 (0.50) ALOX5KDM1AOPRM1OPRL1MAOB
SCHEMBL11072760 0.83 ALOX5 (0.52) ALOX5KDM1AOPRM1OPRL1MAOB
SCHEMBL11071011 0.83 ALOX5 (0.52) ALOX5KDM1AOPRM1OPRL1MAOA
SCHEMBL11074085 0.82 ALOX5 (0.56) ALOX5KDM1AOPRM1OPRL1MAOA
Ethylene SCHEMBL11550591 0.82 OPRM1 (0.48) ALOX5KDM1AOPRM1OPRL1MAOB

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