SCHEMBL7463374

SCHEMBL7463374

O=C(O)CC(=O)OC(Cl)OC(=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
TSHR P16473 3/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL9065300 0.80 LDHA (0.36) LDHASRRTSHRLMNAMMP1
SCHEMBL3415362 0.76 LDHA (0.42) LDHASRRTSHR
SCHEMBL27869946 0.74
SCHEMBL242500 0.74 TSHR (0.47) LDHASRRTSHRLMNAMMP1
SCHEMBL4438448 0.74 LDHA (0.40) LDHASRRTSHR
SCHEMBL26939174 0.74 LDHA (0.40) LDHASRRTSHRMMP1MMP2
SCHEMBL4009823 0.73 CYP19A1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL22124620 0.72 MAPT (0.45) LDHASRR
SCHEMBL5349565 0.72 LDHA (0.38) LDHASRRTSHRLMNAMMP1
SCHEMBL28363264 0.72 CACNA2D1 (0.41) LMNAMMP1MMP2MMP3MMP9

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-1180029-A4 BICYCLIC ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2002-10-02 EP disclosed
EP-1180029-A1 BICYCLIC ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-20 EP disclosed
WO-2000064445-A1 BICYCLIC ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-02 WO disclosed