SCHEMBL8999047

SCHEMBL8999047

CCOC(=O)C(C(C)C)C(c1ccccc1)c1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PIN1 Q13526 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRA1 P14867 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL8998813 0.86 MMP8 (0.47) MMP8PIN1LMNASMN1; SMN2L3MBTL1
SCHEMBL1125008 0.76 CYP4F2 (0.45) LMNACYP4F2CYP4A11TSHRCYP2C9
SCHEMBL9086579 0.74 LMNA (0.51) MMP8CES2CES1PIN1LMNA
SCHEMBL8998946 0.73 MMP8 (0.43) MMP8CES2CES1PIN1LMNA
Bicarbonate SCHEMBL28193127 0.71 MMP8 (0.53) MMP8PIN1LMNASMN1; SMN2MEN1
SCHEMBL8998992 0.71 MMP8 (0.49) MMP8PIN1LMNASMN1; SMN2L3MBTL1
SCHEMBL27419364 0.70 MMP8 (0.46) MMP8PIN1LMNASMN1; SMN2MEN1
SCHEMBL19210801 0.70 MMP8 (0.52) MMP8PIN1LMNASMN1; SMN2L3MBTL1
SCHEMBL9126861 0.70 MMP8 (0.54) MMP8PIN1LMNASMN1; SMN2MEN1
SCHEMBL1661290 0.70 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554624-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS J. URIACH & CIA. (ES) 1996-09-10 US disclosed
EP-0669333-A1 New imidazopyridine derivatives as angiotensin II antagonists J. URIACH & CIA. S.A. (ES) 1995-08-30 EP disclosed