SCHEMBL11071018

SCHEMBL11071018

CC(C)NC1(c2cccc(OCc3ccccc3)c2)CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
ADAM17 P78536 2/20 0.44
PTGES O14684 1/20 0.44
HPD P32754 1/20 0.44
MAOB P27338 5/20 0.44
MAOA P21397 3/20 0.44
BCHE P06276 2/20 0.42
KDM1A O60341 1/20 0.42
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL11073748 0.87 ALOX5 (0.55) ALOX5ADAM17HPDMAOBMAOA
Ethylene SCHEMBL11074499 0.85 ALOX5 (0.53) ALOX5ADAM17HPDMAOBMAOA
SCHEMBL11069466 0.81 ALOX5 (0.48) ALOX5ADAM17HPDMAOBMAOA
SCHEMBL11074085 0.79 ALOX5 (0.56) ALOX5ADAM17HPDMAOBMAOA
Ethylene SCHEMBL11556258 0.77 ALOX5 (0.46) ALOX5ADAM17HPDMAOBMAOA
SCHEMBL11069452 0.76 ALOX5 (0.53) ALOX5ADAM17HPDMAOB
SCHEMBL11120657 0.76 ALOX5 (0.48) ALOX5ADAM17PTGESHPDMAOB
SCHEMBL5465617 0.75 ALOX5 (0.52) ALOX5ADAM17HPDMAOBMAOA
SCHEMBL11071011 0.75 ALOX5 (0.52) ALOX5ADAM17HPDMAOBMAOA
SCHEMBL11072760 0.75 ALOX5 (0.52) ALOX5ADAM17PTGESHPDMAOB

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