SCHEMBL8871212

SCHEMBL8871212

O=C1CCc2ccc(S)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.59
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BRD4 O60885 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HSD17B1 P14061 2/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ IL4I1 Q96RQ9 1/20 0.37
▸ TYMS P04818 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ BAZ1A Q9NRL2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ S100A4 P26447 1/20 0.34

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
SCHEMBL8870788 0.88 MAOA (0.53) PBRM1HRH3HSD17B1MAOAMAOB
SCHEMBL8870715 0.83 CASP1 (0.59) PBRM1CASP1CASP7HSD17B10HRH3
SCHEMBL5546838 0.76 PBRM1 (0.61) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL28880 0.74 PBRM1 (1.00) PBRM1CASP1CASP7HSD17B10HSD17B1
SCHEMBL354988 0.74 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL27286 0.74 PBRM1 (0.64) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL1151032 0.74 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL7891254 0.74 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL10138376 0.74 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4
SCHEMBL31695158 0.74 PBRM1 (0.59) PBRM1CASP1CASP7HSD17B10BRD4

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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