SCHEMBL9816617

SCHEMBL9816617

CCCCC(OC1CCCOO1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
OPRM1 P35372 7/20 0.33
OPRD1 P41143 7/20 0.33
OPRK1 P41145 7/20 0.33
OPRL1 P41146 7/20 0.33
CASR P41180 1/20 0.33
DPP4 P27487 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
SLC7A5 Q01650 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PKM P14618 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL9427162 0.71 SLC6A2 (0.39) OPRM1OPRD1OPRK1OPRL1DPP4
SCHEMBL703009 0.69 POLB (0.41) CTSKOPRM1OPRD1OPRK1OPRL1
SCHEMBL11936252 0.69 SLC6A3 (0.43) TDP1SLC6A4SLC6A3PKM
SCHEMBL7453749 0.69 POLB (0.44) OPRM1OPRD1OPRK1OPRL1CASR
SCHEMBL6254117 0.67 POLB (0.42) OPRM1OPRD1OPRK1OPRL1CASR
SCHEMBL19806000 0.67 SLC6A3 (0.39) TDP1SLC6A3PKM
Hexane SCHEMBL28169137 0.66 TSHR (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL27281580 0.66 CASR (0.46) OPRM1OPRD1OPRK1OPRL1CASR
SCHEMBL27487946 0.66 POLB (0.45) CTSKOPRM1OPRD1OPRK1OPRL1
SCHEMBL38656448 0.66 ALDH1A1 (0.43) OPRM1OPRD1OPRK1OPRL1CASR

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
EP-0135714-B1 SUSTAINED RELEASE COMPOSITIONS FOR BIOLOGICALLY ACTIVE MATERIALS MELAMINE CHEMICALS, INC. (US) 1991-11-06 EP disclosed