SCHEMBL10815737

SCHEMBL10815737

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 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
SCHEMBL10818396 0.88 L3MBTL1 (0.38) L3MBTL1TDP1ATMBCHEADRB2
SCHEMBL11187728 0.78 LMNA (0.40) BCHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10969158 0.74 ALOX5 (0.44) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11422568 0.74 IDO1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL11277037 0.73 ALDH1A1 (0.49) L3MBTL1TDP1
SCHEMBL27726032 0.71 TDP1 (0.49) L3MBTL1TDP1ATMBCHEADRB2
SCHEMBL30605965 0.71 TDP1 (0.49) L3MBTL1TDP1ATMBCHEADRB2
SCHEMBL17502798 0.71 TDP1 (0.49) L3MBTL1TDP1ATMBCHEADRB2
SCHEMBL3939804 0.71 TDP1 (0.49) L3MBTL1TDP1ATMBCHEADRB2
SCHEMBL965339 0.71 TDP1 (0.47) L3MBTL1TDP1ATMBCHEPPARG

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 3 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
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