SCHEMBL7606567

SCHEMBL7606567

O=C(O)CCC(CCC(S)Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.71
CYP1A2 P05177 1/20 0.53
FOLH1 Q04609 4/20 0.51
CPA1 P15085 2/20 0.51
CPB1 P15086 1/20 0.51
CPB2 Q96IY4 1/20 0.51
ACE P12821 1/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.50
MME P08473 1/20 0.49

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
SCHEMBL7609056 0.87 CPA3 (0.53) CPA3FOLH1ACENAALAD2
SCHEMBL29088272 0.83 CPA3 (1.00) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL3963424 0.83 CPA3 (1.00) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL7608459 0.82 CPA3 (0.63) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL7350860 0.78 CPA3 (0.71) CPA3CYP1A2FOLH1CPA1
SCHEMBL7619620 0.78 CPA3 (0.56) CPA3CYP1A2FOLH1
SCHEMBL5051309 0.76 CPA3 (0.67) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL17537902 0.76 CPA3 (0.85) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL12494233 0.75 CYP1A2 (0.83) CPA3CYP1A2FOLH1CPA1CPB1
SCHEMBL6724759 0.75 CYP1A2 (0.83) CPA3CYP1A2FOLH1CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US claimed
US-6458775-B1 N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) INHIBITORS ENZYME ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH INHIBITORS, AND METHODS OF THEIR USE TO INHIBIT NAALADASE ENZYME ACTIVITY, THEREBY EFFECTING NEURONAL GUILFORD PHARMACEUTICAL INC. 2002-10-01 US disclosed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 US disclosed