SCHEMBL10556366

SCHEMBL10556366

O=[C]C1(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSB P07858 1/20 0.52
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
CTSK P43235 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
SCHEMBL22080126 0.87 CTSL (0.51) CTSLCTSSCTSBLMNASMN1; SMN2
SCHEMBL1018180 0.87 CTSL (0.57) CTSLCTSSCTSBLMNASMN1; SMN2
SCHEMBL9900827 0.80 CTSL (0.63) CTSLCTSSCTSBALDH1A1CTSK
SCHEMBL14743991 0.80 CTSL (0.52) CTSLCTSSCTSBLMNASMN1; SMN2
SCHEMBL30117973 0.79 CTSL (0.53) CTSLCTSSCTSBLMNASMN1; SMN2
SCHEMBL143763 0.78 CTSS (0.57) CTSLCTSSCTSBLMNASMN1; SMN2
SCHEMBL14743992 0.78 CTSL (0.54) CTSLCTSSCTSBLMNASMN1; SMN2
SCHEMBL9942953 0.78 CTSL (0.49) CTSLCTSSCTSBCTSK
SCHEMBL52449 0.78 CTSS (0.52) CTSLCTSSCTSBCTSK
SCHEMBL51465 0.78 CTSL (0.49) CTSLCTSSCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed