SCHEMBL7825121

SCHEMBL7825121

CCCCCCCCCCCCCCC=CCCCC(=O)O.CCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.74
▸ TP53 P04637 2/20 0.67
▸ TSHR P16473 1/20 0.67
▸ PLA2G4B P0C869 7/20 0.65
▸ PLA2G4A P47712 1/20 0.60
▸ PTPN11 Q06124 1/20 0.56
▸ TOP1 P11387 2/20 0.54
▸ PPARG P37231 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ FABP4 P15090 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL7825079 1.00 RARB (0.74) RARBTP53TSHRPLA2G4BPLA2G4A
Arachidonic Acid SCHEMBL27543066 0.94 TP53 (0.68) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7171028 0.94 RARB (0.84) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7171026 0.94 RARB (0.84) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7171032 0.94 RARB (0.84) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7166454 0.91 RARB (0.80) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7171418 0.91 RARB (0.80) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7166474 0.91 RARB (0.80) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8208816 0.87 TP53 (0.78) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8208895 0.87 TP53 (0.78) RARBTP53TSHRPLA2G4BPLA2G4A

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
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