SCHEMBL11796402

SCHEMBL11796402

CCc1ccc(CSCC(N)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.57
ACE P12821 1/20 0.52
IDO1 P14902 2/20 0.43
KLKB1 P03952 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC7A5 Q01650 1/20 0.42
GLO1 Q04760 1/20 0.42

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
SCHEMBL5696373 1.00 KIF11 (0.57) KIF11ACEIDO1KLKB1ALDH1A1
SCHEMBL5695657 0.87 KIF11 (0.59) KIF11ACEKLKB1SLC7A5GLO1
SCHEMBL1158095 0.87 KIF11 (0.56) KIF11ACEALDH1A1
SCHEMBL1158094 0.87 KIF11 (0.56) KIF11ACEALDH1A1
SCHEMBL919742 0.87 KIF11 (0.56) KIF11ACEALDH1A1
Hydrochloric Acid SCHEMBL7323852 0.85 KIF11 (0.55) KIF11ACEIDO1ALDH1A1
Hydrochloric Acid SCHEMBL27713539 0.85 KIF11 (0.55) KIF11ACEIDO1ALDH1A1
SCHEMBL24434185 0.85 SLC7A5 (0.61) KIF11KLKB1SLC7A5GLO1
SCHEMBL22887318 0.84 KIF11 (0.49) KIF11KLKB1SLC7A5
SCHEMBL5695688 0.84 SLC6A4 (0.47) KIF11ACEKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3975365-A Inhibitory octapeptides angiotensin II G. D. SEARLE & CO. (US) 1976-08-17 US disclosed