SCHEMBL7825089

SCHEMBL7825089

COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(CC(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ LMNA P02545 5/20 0.74
▸ SMN1; SMN2 Q16637 5/20 0.74
▸ HTT P42858 3/20 0.74
▸ HSD17B10 Q99714 1/20 0.63
▸ NPC1 O15118 4/20 0.61
▸ MAPK1 P28482 1/20 0.57
▸ RAB9A P51151 3/20 0.54
▸ PTGS1 P23219 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ CA5A P35218 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 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
SCHEMBL11576174 0.87 GAA (1.00) GAANPSR1LMNASMN1; SMN2HTT
SCHEMBL2538729 0.85 SMN1; SMN2 (1.00) GAANPSR1LMNASMN1; SMN2HTT
SCHEMBL30512021 0.79 HSD17B10 (1.00) GAAHSD17B10PTGS1AKR1C3AKR1C2
SCHEMBL504029 0.79 HSD17B10 (1.00) GAAHSD17B10PTGS1AKR1C3AKR1C2
SCHEMBL30049382 0.79 GAA (0.74) GAANPSR1LMNASMN1; SMN2HTT
SCHEMBL153055 0.79 GAA (0.74) GAANPSR1LMNASMN1; SMN2HTT
SCHEMBL744543 0.77 HSD17B10 (0.68) SMN1; SMN2HTTHSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL2527402 0.77 HSD17B10 (0.97) GAAHSD17B10PTGS1AKR1C3AKR1C2
SCHEMBL27952523 0.77 GAA (0.72) GAANPSR1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL2530820 0.77 GAA (0.72) GAANPSR1LMNASMN1; SMN2HTT

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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