SCHEMBL10551002

SCHEMBL10551002

CCC(CC(C)=O)C(=S)Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL11534223 0.79 TDP1 (0.40) ALDH1A1TDP1USP2TSHRCA2
SCHEMBL11670378 0.77
SCHEMBL987982 0.75 ALDH1A1 (0.46) ALDH1A1TDP1USP2TSHRCA2
SCHEMBL11052206 0.75 CPB2 (0.38) ALDH1A1TDP1
SCHEMBL123422 0.73 CA2 (0.50) ALDH1A1TDP1USP2TSHRCA2
SCHEMBL22472003 0.73 ALDH1A1 (0.43) ALDH1A1TDP1USP2TSHRCA2
SCHEMBL9068959 0.71
SCHEMBL6946313 0.71
SCHEMBL11534220 0.71 ALDH1A1 (0.42) ALDH1A1TDP1USP2TSHRCA2
SCHEMBL9749195 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833152-A Anti-hypertensive agents UNIVERSITY OF MIAMI (US) 1989-05-23 US disclosed
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 US disclosed
US-4734420-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME UNIVERSITY OF MIAMI (US) 1988-03-29 US disclosed
US-4692458-A Anti-hypertensive agents UNIVERSITY OF MIAMI (US) 1987-09-08 US disclosed
US-4690936-A AMINO ACIDS, THIOESTER LINKAGE; ANGIOTENSIN INHIBITORS UNIVERSITY OF MIAMI (US) 1987-09-01 US disclosed
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 EP disclosed
US-4221912-A Dithio derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-09-09 US disclosed
US-4217458-A Acylmercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-08-12 US disclosed
US-4198515-A Mercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-04-15 US disclosed
US-4156084-A Certain dimers of tetrahydropyridine-2-carboxylic acids or pyrroline-2-carboxylic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4154942-A Certain tetrahydropyridine-2-carboxylic acids and pyrroline-2-carboxylic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4129566-A Derivatives of dehydrocyclicimino acids E. R. SQUIBB & SONS, INC. (US) 1978-12-12 US disclosed