SCHEMBL7763253

SCHEMBL7763253

O=C(O)C1CC(SCc2ccccc2)CN1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.47
GRIK1 P39086 7/20 0.41
GRIA2 P42262 1/20 0.41
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
AGTR2 P50052 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL7763258 1.00 CTSC (0.47) CTSCGRIK1GRIA2KMT2ACYP1A2
SCHEMBL10969399 1.00 CTSC (0.47) CTSCGRIK1GRIA2KMT2ACYP1A2
SCHEMBL13481773 1.00 CTSC (0.47) CTSCGRIK1GRIA2KMT2ACYP1A2
SCHEMBL3184417 1.00 CTSC (0.47) CTSCGRIK1GRIA2KMT2ACYP1A2
SCHEMBL4863983 0.87 KMT2A (0.40) CTSCGRIK1KMT2ACYP1A2CYP2D6
SCHEMBL4864246 0.87 KMT2A (0.40) CTSCGRIK1GRIA2KMT2ACYP1A2
SCHEMBL5514581 0.85 ACE (0.43) CTSCGRIK1GRIA2KMT2AKDM4E
SCHEMBL7143288 0.84 GRIK1 (0.40) CTSCGRIK1GRIA2KMT2ACYP2D6
SCHEMBL5285064 0.84 GRIK1 (0.40) CTSCGRIK1GRIA2KMT2ACYP2D6
SCHEMBL3196017 0.84 GRIK1 (0.40) CTSCGRIK1GRIA2KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed