SCHEMBL5230792

SCHEMBL5230792

CCSC(=O)C(C)Oc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.46
EPHX2 P34913 4/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1360975 0.78 OGG1 (0.35) CYP1A2LMNAGAANPSR1MEN1
SCHEMBL10031682 0.78 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL10965182 0.78 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19LMNAGAA
SCHEMBL10022852 0.77 EPHX2 (0.66) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL5204883 0.77 EPHX2 (0.66) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL2399722 0.75 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL8761273 0.75 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL10607544 0.75 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL607372 0.75 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL117259 0.75 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19POLBEPHX2

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
EP-1825750-A1 System for delivering agricultural chemicals Menno Chemie-Vertrieb GmbH (DE) 2007-08-29 EP claimed
EP-1825750-A1 System for delivering agricultural chemicals Menno Chemie-Vertrieb GmbH (DE) 2007-08-29 EP disclosed