SCHEMBL8527042

SCHEMBL8527042

CC1CC(c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40

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
SCHEMBL7599978 0.84 SIGMAR1 (0.47)
SCHEMBL7609588 0.84 SIGMAR1 (0.47)
SCHEMBL7599981 0.84 SIGMAR1 (0.47)
SCHEMBL7609590 0.84 SIGMAR1 (0.47)
SCHEMBL2036589 0.84 SIGMAR1 (0.47)
SCHEMBL27797458 0.82 SIGMAR1 (0.46)
SCHEMBL11291691 0.81 HTR2A (0.53)
SCHEMBL11298526 0.81 HTR2A (0.51)
SCHEMBL28306248 0.81 PARP1 (0.46)
SCHEMBL27792303 0.77 HTR2A (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101855213-B Therapeutic compounds ALLERGAN INC 2014-09-10 CN disclosed
CN-101855213-A Therapeutic compounds ALLERGAN INC 2010-10-06 CN disclosed
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed