SCHEMBL5580485

SCHEMBL5580485

O[C@H]1CC[C@@H](n2cc3ccccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.34
AR P10275 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KCNA3 P22001 1/20 0.33
ESR2 Q92731 1/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
PRKDC P78527 1/20 0.32
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
ABL2 P42684 1/20 0.31
HCAR1 Q9BXC0 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
Hydrochloric Acid SCHEMBL11272392 0.77 KDM4E (0.32) KDM4EMAPTSLC6A4SLC6A3ALDH1A1
SCHEMBL632117 0.73 NOTUM (0.36) KDM4EMAPTESR2ALDH1A1
Biphenyl SCHEMBL8027156 0.67 ALDH1A1 (0.50) KCNA3ESR2ALDH1A1SMN1; SMN2
Catechol SCHEMBL16584581 0.64 ALDH1A1 (0.59) KDM4EMAPTESR2EGFRTSHR
SCHEMBL600594 0.64 TSHR (0.51) KDM4EMAPTTSHRALDH1A1HPGD
SCHEMBL29466571 0.64 TSHR (0.51) KDM4EMAPTTSHRALDH1A1HPGD
SCHEMBL240719 0.64 TSHR (0.51) KDM4EMAPTTSHRALDH1A1HPGD
SCHEMBL1065078 0.64 TSHR (0.51) KDM4EMAPTTSHRALDH1A1HPGD
SCHEMBL4018295 0.64 HCAR1 (0.34) HCAR1TSHR
SCHEMBL5090470 0.64 HCAR1 (0.34) HCAR1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814875-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE The Regents of the University of California (US) 2007-08-08 EP disclosed
WO-2006045119-A9 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2006-05-26 WO disclosed
WO-2006045119-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-27 WO disclosed