SCHEMBL11077751

SCHEMBL11077751

CC1(C)CCC(C(=O)Cl)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
OPRL1 P41146 5/20 0.40
NOTUM Q6P988 3/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL11073009 0.85 KDM4C (0.44) KDM4CGAASMN1; SMN2OPRM1OPRD1
SCHEMBL29673073 0.85 KDM4C (0.44) KDM4CGAASMN1; SMN2OPRM1OPRD1
SCHEMBL10888566 0.85 GAA (0.45) KDM4CGAASMN1; SMN2OPRM1OPRD1
Hydrochloric Acid SCHEMBL11077756 0.84 KDM4C (0.44) KDM4CGAASMN1; SMN2OPRM1OPRD1
SCHEMBL29673123 0.81 KDM4C (0.42) KDM4CGAASMN1; SMN2OPRM1OPRD1
SCHEMBL11072517 0.81 KDM4C (0.42) KDM4CGAASMN1; SMN2OPRM1OPRD1
SCHEMBL10603105 0.81 KDM4C (0.42) KDM4CGAASMN1; SMN2OPRM1OPRD1
SCHEMBL11074853 0.80 CCR2 (0.36) HSD11B1
SCHEMBL11074758 0.78 SIGMAR1 (0.46) KDM4CSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL10887219 0.77 KDM4C (0.39) KDM4CGAASMN1; SMN2OPRM1OPRD1

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-4481133-A NATHTALENE AND INDANE NITRILES GIVAUDAN CORPORATION (US) 1984-11-06 US disclosed
US-4406828-A ACETYL AND PROPIONYL INDANES AND TETRALINS GIVAUDAN CORPORATION (US) 1983-09-27 US disclosed