SCHEMBL20124367

SCHEMBL20124367

CCc1ccc(Cc2cc(C3CC(O)CC(CO)C3=O)ccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.53
SLC5A1 P13866 15/20 0.53
ADRA2A P08913 1/20 0.40
SLC5A11 Q8WWX8 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
SCHEMBL25955996 0.89 SLC5A2 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20124366 0.76 SLC5A2 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20124343 0.76 SLC5A2 (0.56) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL12336707 0.76 SLC5A2 (0.60) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL28789445 0.76 SLC5A2 (0.52) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL20343943 0.75 SLC5A2 (0.57) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL48206 0.73 SLC5A2 (0.60) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL27799418 0.73 SLC5A2 (0.60) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL27820547 0.70 SLC5A2 (0.54) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13445666 0.70 SLC5A2 (0.59) SLC5A2SLC5A1ADRA2ASLC5A11

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-2230907-B1 BENZYLPHENYL CYCLOHEXANE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2018-05-09 EP disclosed