SCHEMBL7827643

SCHEMBL7827643

COc1cc(Br)c(OC)c(C(=O)O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
TSHR P16473 2/20 0.53
APOBEC3A P31941 1/20 0.53
HTT P42858 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
HSD17B10 Q99714 3/20 0.51
TPMT P51580 2/20 0.50
KMT2A Q03164 2/20 0.48
PTPN1 P18031 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALOX15 P16050 1/20 0.45
TNFRSF1A P19438 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9334983 0.88 HSD17B10 (0.58) LCKFYNTSHRAPOBEC3AHTT
SCHEMBL9774171 0.86 TPMT (0.55) LCKFYNHTTHSD17B10TPMT
SCHEMBL14141897 0.85 LCK (0.55) LCKFYNTSHRAPOBEC3AHTT
SCHEMBL9549921 0.84 LCK (0.50) LCKFYNTSHRAPOBEC3AHTT
SCHEMBL15260493 0.84 PTPN1 (0.57) LCKFYNTSHRAPOBEC3AHTT
SCHEMBL9549964 0.84 TSHR (0.51) LCKFYNTSHRAPOBEC3AHTT
Hydrochloric Acid SCHEMBL9550013 0.82 TSHR (0.63) LCKFYNTSHRAPOBEC3AHTT
SCHEMBL9549982 0.81 TPMT (0.64) LCKFYNTSHRAPOBEC3AHTT
SCHEMBL1323122 0.81 CA12 (0.55) LCKFYNTSHRAPOBEC3AHTT
SCHEMBL4831712 0.80 ALDH1A1 (0.58) LCKFYNTSHRAPOBEC3AHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
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
US-5240957-A Dopaminergic agent ASTRA LAKEMEDEL AKTEIBOLAG (SE) 1993-08-31 US disclosed
EP-0156776-A1 Derivatives of N-(2-pyrrolidinylmethyl)-benzamide, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-10-02 EP disclosed