SCHEMBL27839293

SCHEMBL27839293

OC1(c2ccccc2)C=CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
OPRM1 P35372 4/20 0.36
OPRL1 P41146 4/20 0.36
OPRK1 P41145 3/20 0.36
AKR1C1 Q04828 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.33
OPRD1 P41143 1/20 0.33
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4089733 0.87 HDAC4 (0.36) HDAC4OPRM1OPRL1OPRK1AKR1C1
SCHEMBL9242395 0.75 MEN1 (0.38) HDAC4OPRM1OPRL1OPRK1AKR1C1
SCHEMBL2149953 0.74 HDAC4 (0.31) HDAC4OPRM1OPRL1OPRK1
SCHEMBL9351957 0.74 HDAC4 (0.34) HDAC4OPRM1OPRL1OPRK1HDAC1
SCHEMBL1477275 0.73 MAOB (0.31) HDAC4OPRM1OPRL1OPRK1MAOB
SCHEMBL28640368 0.73 HDAC4 (0.30) HDAC4OPRM1OPRL1OPRK1
Biphenyl SCHEMBL27811627 0.73
SCHEMBL9547933 0.72 HDAC1 (0.34) HDAC1HDAC2
SCHEMBL28524217 0.72 OPRL1 (0.47) HDAC4OPRM1OPRL1OPRK1HDAC1
SCHEMBL11884391 0.72 AKR1C1 (0.38) HDAC4OPRM1OPRL1OPRK1AKR1C1

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
CN-102179240-B Binary amorphous alloy catalyst and preparation method and use thereof UNIV SHANGHAI 2013-01-16 CN disclosed
CN-102179240-A Binary amorphous alloy catalyst and preparation method and use thereof UNIV SHANGHAI 2011-09-14 CN disclosed