SCHEMBL9068636

SCHEMBL9068636

CC(=O)SCC(CC(C)C)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.39
KISS1R Q969F8 3/20 0.38
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MME P08473 2/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.32
FCER2 P06734 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RNPEP Q9H4A4 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
SCHEMBL10549886 0.85 CPB2 (0.44) CPB2MMEACEALDH1A1
SCHEMBL489084 0.82 CPB2 (0.51) CPB2KISS1RSLC1A3SLC1A2MME
SCHEMBL489085 0.82 CPB2 (0.51) CPB2KISS1RSLC1A3SLC1A2MME
SCHEMBL1708851 0.80 CPB2 (0.42) CPB2KISS1RSLC1A3SLC1A2MME
SCHEMBL10553705 0.79 CPB2 (0.41) CPB2MMEACEALDH1A1
SCHEMBL7341626 0.79 CPB2 (0.41) CPB2SLC1A3SLC1A2MMEACE
SCHEMBL9743096 0.74 MME (0.44) MMEACE
SCHEMBL607225 0.74 MME (0.44) MMEACE
SCHEMBL5295104 0.74 MME (0.44) MMEACE
SCHEMBL11438740 0.73 CPB2 (0.37) CPB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
EP-0361365-A1 Aminobenzoic and aminocyclohexane-carboylic acid compounds, compositions, and their method of use E.R. SQUIBB & SONS, INC. (US) 1990-04-04 EP disclosed
EP-0086757-A1 Derivatives of alpha or beta-mercaptopropionylamidoacetic acids, processes for their preparation and the therapeutic compositions which include them as active principles Farmatis S.r.l. (IT) 1983-08-24 EP disclosed
EP-0021766-B1 INHIBITORS OF MAMMALIAN COLLAGENASE E.R. Squibb & Sons, Inc. (US) 1983-02-09 EP disclosed
US-4297275-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1981-10-27 US disclosed
EP-0021766-A2 Inhibitors of mammalian collagenase E.R. Squibb & Sons, Inc. (US) 1981-01-07 EP disclosed
US-4235885-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1980-11-25 US disclosed