SCHEMBL7825375

SCHEMBL7825375

CCCCCC(C)(C)c1ccc(OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
PLA2G4B P0C869 7/20 0.65
RARB P10826 4/20 0.62
PLA2G4A P47712 1/20 0.59
PKM P14618 1/20 0.53
HTT P42858 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
NR4A2 P43354 1/20 0.50

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
SCHEMBL448815 0.89 RARB (0.50) TP53TSHRPLA2G4BRARB
SCHEMBL5486023 0.87 TP53 (0.53) TP53TSHRPLA2G4BRARB
SCHEMBL10492948 0.84 NR5A1 (0.53)
SCHEMBL1890228 0.83 CNR2 (0.47) TP53TSHR
SCHEMBL9303812 0.83 PPARD (0.47) TP53TSHRRARB
SCHEMBL10513794 0.82 NR5A1 (0.56) TP53TSHR
SCHEMBL503727 0.82 TP53 (0.96) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL736876 0.82 TP53 (0.89) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10798086 0.82 TP53 (0.89) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL4238919 0.81 CNR2 (0.47) TP53TSHR

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed