SCHEMBL8870788

SCHEMBL8870788

O=C1CCCc2ccc(S)cc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 10/20 0.53
▸ MAOB P27338 10/20 0.53
▸ CYP2A6 P11509 1/20 0.53
▸ PRKCI P41743 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PBRM1 Q86U86 1/20 0.46
▸ HSD17B1 P14061 2/20 0.42
▸ GRM5 P41594 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL8871212 0.88 PBRM1 (0.59) MAOAMAOBCYP2A6MEN1KMT2A
SCHEMBL5858951 0.84 MAOA (0.61) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL5543621 0.78 MAOA (0.55) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL1274936 0.76 MAOA (0.59) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL385554 0.76 PBRM1 (0.78) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL3665755 0.76 MAOA (0.53) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL769238 0.76 MAOA (0.53) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL8303576 0.76 MAOA (0.53) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL656011 0.76 CASP1 (0.55) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL29673118 0.76 MAOA (0.59) MAOAMAOBCYP2A6PRKCIMEN1

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
US-5607928-A Carbapenem derivatives containing a bicyclic ketone substituent and their use as anti-infectives ZENECA LIMITED (GB) 1997-03-04 — — US disclosed
EP-0695753-A1 Carbapenem derivatives containing a bicyclic substituent, process for their preparation, and their use ZENECA LIMITED (GB) 1996-02-07 — — EP disclosed
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