SCHEMBL7440215

SCHEMBL7440215

CCSSCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CPA1 P15085 7/20 0.54
CPA3 P15088 3/20 0.54
FOLH1 Q04609 2/20 0.54
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
PPARG P37231 1/20 0.50
MME P08473 1/20 0.47

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
SCHEMBL7273492 0.85 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7273483 0.85 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL162841 0.82 CYP1A2 (0.70) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL491524 0.78 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL265063 0.78 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL265514 0.78 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL838961 0.78 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6154521 0.78 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL838962 0.78 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.78 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed