SCHEMBL7440219

SCHEMBL7440219

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CPA3 P15088 2/20 0.47
FOLH1 Q04609 2/20 0.47
SRR Q9GZT4 2/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
ACE P12821 2/20 0.44
CPA1 P15085 3/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPN7 P35236 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
SCHEMBL66965 0.78 CYP1A2 (0.55) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL15426321 0.78 CYP1A2 (0.55) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL28382853 0.78 CYP1A2 (0.47) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL304065 0.78 CYP1A2 (0.47) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL28743400 0.76 CYP1A2 (0.57) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL20394045 0.75 CYP1A2 (0.52) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL16396822 0.75 ALPI (0.49) CYP1A2SRRALPIPKMPTGS1
SCHEMBL302771 0.74 CYP1A2 (0.55) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL3632920 0.74 CYP1A2 (0.55) CYP1A2CPA3FOLH1SRRALPI
SCHEMBL4378855 0.74 CYP1A2 (0.50) CYP1A2CPA3FOLH1SRRALPI

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