SCHEMBL16398804

SCHEMBL16398804

OCC1CCC(OCOCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38
PDE4D Q08499 1/20 0.38
LTA4H P09960 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL16398803 1.00 TSHR (0.42) TSHROPRM1OPRL1DPP4KDM4E
SCHEMBL17103669 0.87 OPRM1 (0.49) OPRM1OPRL1DPP4LTA4HTMEM97
SCHEMBL22762091 0.87 OPRM1 (0.49) OPRM1OPRL1DPP4LTA4HTMEM97
SCHEMBL17103670 0.87 OPRM1 (0.49) OPRM1OPRL1DPP4LTA4HTMEM97
SCHEMBL2374859 0.80 CTSL (0.50) TSHRKDM4EPOLBCTSLCTSB
SCHEMBL756738 0.80 CTSL (0.50) TSHRKDM4EPOLBCTSLCTSB
SCHEMBL5007136 0.79 LTA4H (0.43) OPRM1GBA1LTA4HSIGMAR1HRH3
SCHEMBL5007137 0.79 LTA4H (0.43) OPRM1GBA1LTA4HSIGMAR1HRH3
SCHEMBL15778263 0.78 PDE4D (0.48) TSHROPRM1KDM4EPOLBGBA1
SCHEMBL21000274 0.78 CTSL (0.44) OPRM1OPRL1DPP4TMEM97CARM1

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
WO-2014196328-A1 HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 日本理化学工業株式会社 (JP) 2014-12-11 WO disclosed