SCHEMBL7828171

SCHEMBL7828171

O=C(CC(F)C(=O)O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.60
▸ LMNA P02545 1/20 0.60
▸ SLC1A3 P43003 2/20 0.53
▸ SLC1A2 P43004 2/20 0.53
▸ SLC1A1 P43005 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ MAPT P10636 6/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL11709313 0.81 LMNA (0.56) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL8563381 0.79 HPGD (0.62) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL2313979 0.78 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL1771059 0.78 HPGD (0.60) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL8984826 0.78 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL15971325 0.78 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL10404583 0.77 HPGD (0.59) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL6062563 0.77 LMNA (0.59) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL3021548 0.77 LMNA (0.86) HPGDLMNATSHRMAPTGAA
SCHEMBL11601130 0.77 LMNA (0.59) HPGDLMNASLC1A3SLC1A2SLC1A1

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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