SCHEMBL8998946

SCHEMBL8998946

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
PIN1 Q13526 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MDM4 O15151 1/20 0.38
MAPT P10636 1/20 0.38
MDM2 Q00987 1/20 0.38
TSHR P16473 1/20 0.37
CACNA1G O43497 2/20 0.37

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
SCHEMBL8998830 0.86 PIN1 (0.45) MMP8PIN1ALDH1A1RECQLLMNA
SCHEMBL15489465 0.77 PIN1 (0.45) MMP8PIN1ALDH1A1RECQLLMNA
SCHEMBL2993639 0.76 PIN1 (0.50) MMP8PIN1ALDH1A1RECQLLMNA
SCHEMBL15419570 0.75 PIN1 (0.49) MMP8PIN1ALDH1A1RECQLLMNA
SCHEMBL8999047 0.73 MMP8 (0.43) MMP8PIN1CES2CES1LMNA
SCHEMBL11069746 0.72 PIN1 (0.49) MMP8PIN1ALDH1A1RECQLLMNA
SCHEMBL1125293 0.72 RORC (0.51) MMP8PIN1ALDH1A1RECQLLMNA
SCHEMBL9086579 0.71 LMNA (0.51) MMP8PIN1ALDH1A1RECQLCES2
SCHEMBL14826292 0.71 KCNN4 (0.50) ALDH1A1CYP1A2CYP2D6CYP3A4MAPT
SCHEMBL8431510 0.71 CYP4F2 (0.43) MMP8PIN1ALDH1A1RECQLCES2

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