SCHEMBL6442510

SCHEMBL6442510

CC(C)(C)C1CCCC(O)(CCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
OPRL1 P41146 3/20 0.45
HSD17B3 P37058 1/20 0.41
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
LTB4R Q15722 6/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
GRIN2B Q13224 5/20 0.39
TRPA1 O75762 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4204848 0.75 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL4989701 0.73 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL17493640 0.73 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1GRIN2B
Hydrochloric Acid SCHEMBL27656058 0.72 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1KDM1A
SCHEMBL6442514 0.71 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1TRPA1
SCHEMBL28914563 0.71 OPRM1 (0.69) OPRM1OPRL1HSD17B3OPRD1OPRK1
SCHEMBL21058267 0.71 KDM1A (0.43) OPRM1OPRL1OPRK1KDM1AMAOA
SCHEMBL26326653 0.65 CYP2D6 (0.46) OPRM1GRIN2B
SCHEMBL3088687 0.64 OPRM1 (0.51) OPRM1OPRL1HSD17B3OPRD1OPRK1
SCHEMBL5349572 0.64 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1

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
US-6887824-B1 Divalent lanthanide reduction catalysts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-03 US disclosed