SCHEMBL6561341

SCHEMBL6561341

C=CN1CCC(C(=C(C)C(=O)O)N(CC)CC)C1=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6409121 0.85
SCHEMBL3764135 0.85
SCHEMBL20872606 0.74 FAAH (0.30)
SCHEMBL6291385 0.73 FAAH (0.31)
SCHEMBL646545 0.72 ACHE (0.32) OPRM1
SCHEMBL9362516 0.71 HSD17B10 (0.37) HSD17B10
SCHEMBL19868415 0.68 CYP3A4 (0.31)
SCHEMBL5198799 0.67 CPN1 (0.33)
SCHEMBL19868534 0.66 FKBP1A (0.33)
SCHEMBL20872459 0.65 MCL1 (0.44) ALDH1A1HSD17B10OPRM1

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-1108559-B1 Backprinting recording medium for ink-jet printing SONY CHEMICALS CORP (JP) 2004-10-13 EP disclosed