SCHEMBL8998830

SCHEMBL8998830

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
MMP8 P22894 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP26A1 O43174 1/20 0.41
MDM4 O15151 1/20 0.41
MAPT P10636 1/20 0.41
MDM2 Q00987 1/20 0.41
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8998946 0.86 MMP8 (0.43) PIN1MMP8LMNAALDH1A1MDM4
SCHEMBL11506989 0.81 CYP1A2 (0.41) PIN1MMP8LMNAALDH1A1CYP26A1
SCHEMBL2993639 0.81 PIN1 (0.50) PIN1MMP8LMNAALDH1A1MDM4
SCHEMBL15419570 0.80 PIN1 (0.49) PIN1MMP8LMNAALDH1A1MDM4
SCHEMBL5084136 0.79 LMNA (0.55) PIN1MMP8LMNAALDH1A1TSHR
SCHEMBL11069746 0.76 PIN1 (0.49) PIN1MMP8LMNAALDH1A1MDM4
SCHEMBL15489465 0.76 PIN1 (0.45) PIN1MMP8LMNAALDH1A1MDM4
SCHEMBL14826292 0.75 KCNN4 (0.50) ALDH1A1CYP26A1MAPTTSHR
SCHEMBL5972776 0.75 ALDH1A1 (0.46) PIN1MMP8LMNAALDH1A1MDM4
SCHEMBL8672395 0.74 PIN1 (0.46) PIN1MMP8LMNAALDH1A1MDM4

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