SCHEMBL8998813

SCHEMBL8998813

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
PIN1 Q13526 1/20 0.43
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
GABRA1 P14867 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL8999047 0.86 MMP8 (0.43) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL8998992 0.84 MMP8 (0.49) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL5084136 0.79 LMNA (0.55) MMP8PIN1NPC1MEN1KMT2A
Bicarbonate SCHEMBL28193127 0.76 MMP8 (0.53) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL10910013 0.75 MEN1 (0.46) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL27419364 0.75 MMP8 (0.46) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL16430281 0.74 MMP8 (0.54) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL1661290 0.74 MMP8 (0.54) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL2301980 0.74 MMP8 (0.54) MMP8PIN1NPC1MEN1KMT2A
SCHEMBL21715044 0.73 HSD11B1 (0.46) MMP8MEN1KMT2ALMNASMN1; SMN2

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