SCHEMBL10818396

SCHEMBL10818396

Cc1ccccc1OC(=O)C(C(=O)O)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33

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
SCHEMBL10815737 0.88 L3MBTL1 (0.36) L3MBTL1TDP1ATMPPARGBCHE
SCHEMBL10492974 0.81 ATM (0.43) L3MBTL1TDP1ATMIDO1TDO2
SCHEMBL10650923 0.74 IDO1 (0.50) IDO1TDO2CHRNB2CHRNB4CHRNA3
SCHEMBL11260231 0.74 LMNA (0.41) IDO1TDO2CHRNB2CHRNB4CHRNA3
SCHEMBL162736 0.74 SRC (0.50) L3MBTL1IDO1TDO2CHRNB2CHRNB4
SCHEMBL11101690 0.73 ALDH1A1 (0.44) L3MBTL1TDP1
SCHEMBL11664079 0.73 SRC (0.48) L3MBTL1ATMIDO1TDO2SRC
SCHEMBL10918696 0.72 SRC (0.48) IDO1TDO2CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL11244144 0.72 SRC (0.48) IDO1TDO2CHRNB2CHRNB4CHRNA3
SCHEMBL3632860 0.70 TDP1 (0.44) L3MBTL1TDP1ATMPPARGBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084948-B1 PENICILLIN DERIVATIVES BEECHAM GROUP PLC (GB) 1987-11-04 — — EP disclosed
US-4455314-A Penicillin derivatives BEECHAM GROUP P.L.C. (GB) 1984-06-19 — — US disclosed
EP-0084948-A1 Penicillin derivatives BEECHAM GROUP PLC (GB) 1983-08-03 — — EP disclosed
US-4385060-A BACTERICIDES AND PROPHYLAXIS BEECHAM GROUP LIMITED (GB) 1983-05-24 — — US disclosed
EP-0026644-B1 ORTHO-TOLYL ESTER OF AN ALPHA-CARBOXY PENICILLIN, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE PENICILLIN BEECHAM GROUP PLC (GB) 1982-12-01 — — EP disclosed
EP-0026644-A1 Ortho-tolyl ester of an alpha-carboxy penicillin, process for its preparation and pharmaceutical compositions comprising the penicillin BEECHAM GROUP PLC (GB) 1981-04-08 — — EP disclosed
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