SCHEMBL8736402

SCHEMBL8736402

CC(C=Cc1cccc(O)c1)(C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
CYP2C19 P33261 1/20 0.47
FBP1 P09467 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HSP90AA1 P07900 1/20 0.45
P4HB P07237 1/20 0.44

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
SCHEMBL6067666 0.82 CYP2C19 (0.67) CYP2C19MAOB
SCHEMBL6693532 0.79 CA12 (0.52) CYP2C19MAOAMAOB
SCHEMBL2512334 0.73 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL2512336 0.73 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL13338339 0.73 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL442408 0.73 NPSR1 (0.65) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL10504122 0.73 NPSR1 (0.65) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL448904 0.73 NPSR1 (0.65) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL29405719 0.73 NPSR1 (0.65) LCKCCNB2CDK1CDK4CCNB1
Methacrylic Acid SCHEMBL22245436 0.72 LCK (0.58) LCKCCNB2CDK1CDK4CCNB1

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-0799175-B1 SALTS OF AROMATIC HYDROXYL COMPOUNDS AND THEIR USE AS BRIGHTENERS BASF AG (DE) 1998-10-14 EP disclosed
EP-0799175-A1 SALTS OF AROMATIC HYDROXYL COMPOUNDS AND THEIR USE AS BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
WO-1996020152-A1 SALTS OF AROMATIC HYDROXYL COMPOUNDS AND THEIR USE AS BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed