SCHEMBL5081270

SCHEMBL5081270

CCC(=O)C1CC/C=C\CC/C=C\CCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL5081272 1.00 RAB9A (0.32) RAB9AKDM4EALDH1A1PKM
SCHEMBL16329447 0.98 RAB9A (0.33) RAB9AKDM4EALDH1A1PKM
SCHEMBL8719209 0.90 ALDH1A1 (0.35) RAB9AKDM4EALDH1A1PKM
SCHEMBL7176113 0.85 ABL1 (0.33) RAB9AKDM4EALDH1A1PKM
SCHEMBL7176124 0.85 ABL1 (0.33) RAB9AKDM4EALDH1A1PKM
SCHEMBL12674300 0.83 ABL1 (0.34) RAB9AKDM4EALDH1A1PKM
SCHEMBL7178618 0.82 ABL1 (0.43) ALDH1A1
SCHEMBL7178621 0.82 ABL1 (0.43) ALDH1A1
SCHEMBL5278699 0.80 ALDH1A1 (0.41) RAB9AKDM4EALDH1A1PKM
SCHEMBL1229062 0.79 ALDH1A1 (0.33) RAB9AKDM4EALDH1A1PKM

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-7348304-B1 Fragrance material COOL LAURENCE G 2008-03-25 US disclosed
EP-1087923-B1 NOVEL FRAGRANCE COMPOUNDS QUEST INT (NL) 2003-05-28 EP disclosed