SCHEMBL28628716

SCHEMBL28628716

OC1(c2ccco2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
CHRM1 P11229 1/20 0.42
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GRM5 P41594 1/20 0.32
SCD5 Q86SK9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL28366218 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL3951666 0.91
SCHEMBL21293507 0.78 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL13992792 0.71 ALDH1A1 (0.38) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL10048454 0.71 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL13992800 0.70 SLC6A4 (0.38) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL2141410 0.68
SCHEMBL28578419 0.68 CHRM1 (0.53) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL8519318 0.67 CHRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CHRM1
SCHEMBL7414855 0.67 AKR1C1 (0.42) OPRM1OPRD1OPRK1OPRL1CHRM1

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-110218227-B Method for preparing aryl ketone derivative 苏州大学 2021-12-10 CN disclosed
CN-109232448-B (E) -chloropropylketene/olefine aldehyde triazole compound and synthesis method thereof 陕西师范大学 2021-09-21 CN disclosed