SCHEMBL7107590

SCHEMBL7107590

[c]1ccccc1C1(c2ccccc2)CCO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
ICMT O60725 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
SCHEMBL2360103 0.78 OPRM1 (0.41) TSHROPRM1OPRK1OPRL1ICMT
SCHEMBL27521035 0.76 TSHR (0.30) TSHR
SCHEMBL7704778 0.70
SCHEMBL5135074 0.69 OPRM1 (0.38) OPRM1
SCHEMBL1569110 0.69 DPP4 (0.38) OPRM1OPRK1OPRL1
SCHEMBL3751280 0.68 TSHR (0.33) TSHR
SCHEMBL8666950 0.67 DPP4 (0.41) OPRM1
SCHEMBL7003423 0.66 SLC6A2 (0.41) OPRM1
SCHEMBL2771319 0.66 MAPK1 (0.31)
SCHEMBL106532 0.65

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
US-20030013684-A1 Agricultural composition MITSUI CHEMICALS, INC. (JP) 2003-01-16 US disclosed
EP-1258191-A1 Agricultural composition Mitsui Chemicals, Inc. (JP) 2002-11-20 EP disclosed