SCHEMBL11077877

SCHEMBL11077877

CN(CC1CC1)C1(c2cccc(OCc3ccccc3)c2)CCC(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
KDM1A O60341 2/20 0.43
ADAM17 P78536 3/20 0.42
OPRL1 P41146 3/20 0.40
OPRM1 P35372 2/20 0.40
MAOB P27338 3/20 0.40
HTR1A P08908 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
HPD P32754 1/20 0.39
MAOA P21397 1/20 0.38

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 SCHEMBL11557589 0.94 ALOX5 (0.46) ALOX5KDM1AADAM17OPRL1OPRM1
Ethylene SCHEMBL11552453 0.93 ALOX5 (0.45) ALOX5KDM1AADAM17OPRL1OPRM1
SCHEMBL11072760 0.87 ALOX5 (0.52) ALOX5KDM1AADAM17OPRL1OPRM1
SCHEMBL11071011 0.87 ALOX5 (0.52) ALOX5KDM1AADAM17OPRL1OPRM1
SCHEMBL11074085 0.87 ALOX5 (0.56) ALOX5KDM1AADAM17OPRL1OPRM1
SCHEMBL11067153 0.85 ALOX5 (0.45) ALOX5KDM1AADAM17OPRL1OPRM1
Ethylene SCHEMBL11099478 0.85 ALOX5 (0.50) ALOX5KDM1AADAM17OPRL1OPRM1
SCHEMBL11070037 0.85 ALOX5 (0.50) ALOX5KDM1AADAM17OPRL1OPRM1
SCHEMBL11120660 0.84 ALOX5 (0.49) ALOX5KDM1AADAM17MAOBHTR1A
SCHEMBL11069457 0.83 OPRM1 (0.50) ALOX5KDM1AADAM17OPRL1OPRM1

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