SCHEMBL7823506

SCHEMBL7823506

O=C(O)c1sccc1OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ GAA P10253 2/20 0.77
▸ NR4A2 P43354 2/20 0.58
▸ PTPRC P08575 2/20 0.58
▸ PTPN1 P18031 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ MRGPRX4 Q96LA9 3/20 0.54
▸ FFAR4 Q5NUL3 2/20 0.53
▸ FFAR1 O14842 1/20 0.52
▸ THRA P10827 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ MAOB P27338 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ SLC1A5 Q15758 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL4096759 0.81 L3MBTL1 (0.69) L3MBTL1ALDH1A1GAANR4A2PTPRC
SCHEMBL31261618 0.78 L3MBTL1 (0.68) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL2453780 0.78 NR4A2 (0.62) L3MBTL1ALDH1A1GAANR4A2PTPRC
SCHEMBL7825081 0.76 L3MBTL1 (0.69) L3MBTL1ALDH1A1GAAPTPRCRAB9A
SCHEMBL20504847 0.75 L3MBTL1 (0.54) L3MBTL1ALDH1A1GAAPTPRCPTPN1
SCHEMBL8881801 0.75 NR4A2 (0.58) L3MBTL1ALDH1A1GAANR4A2PTPRC
SCHEMBL31261633 0.74 GAA (0.61) L3MBTL1ALDH1A1GAARAB9AKDM4E
SCHEMBL5217309 0.74 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAANR4A2PTPRC
SCHEMBL7821718 0.74 MEN1 (0.72) L3MBTL1ALDH1A1GAANR4A2PTPRC
SCHEMBL9795392 0.74 NR4A2 (0.54) L3MBTL1ALDH1A1GAANR4A2MRGPRX4

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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