SCHEMBL7398652

SCHEMBL7398652

C[C@@H](CS)C(=O)OC(CSc1cccs1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.40
FCER2 P06734 3/20 0.37
PTGER1 P34995 1/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37
MMP7 P09237 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
MMP14 P50281 2/20 0.37
ADAM17 P78536 2/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
ACE P12821 4/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL7398653 1.00 MMP1 (0.40) MMP1FCER2PTGER1PTGFRPTGER3
Amantadine SCHEMBL7396703 0.87 PTGER1 (0.36) MMP1FCER2PTGER1PTGFRPTGER3
Amantadine SCHEMBL7396700 0.87 PTGER1 (0.36) MMP1FCER2PTGER1PTGFRPTGER3
SCHEMBL7399675 0.87 MME (0.40) MMP1FCER2PTGER1PTGFRPTGER3
SCHEMBL7399673 0.87 MME (0.40) MMP1FCER2PTGER1PTGFRPTGER3
SCHEMBL7394102 0.82 MTNR1A (0.44) ACEALDH1A1
SCHEMBL7394099 0.82 MTNR1A (0.44) ACEALDH1A1
SCHEMBL7393328 0.79 MME (0.39) ACEALDH1A1
SCHEMBL9240332 0.79 MME (0.39) ACEALDH1A1
SCHEMBL7396702 0.78 ALDH1A1 (0.38) MMP1PTGER1PTGFRPTGER3PTGER2

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
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP claimed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP claimed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO claimed