SCHEMBL8998907

SCHEMBL8998907

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
CYP19A1 P11511 5/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL8998904 1.00 LMNA (0.57) LMNAALDH1A1MAPK1CYP19A1MAPT
Etocrylene SCHEMBL1768864 0.94 ALDH1A1 (0.62) LMNAALDH1A1MAPK1CYP19A1MAPT
Etocrylene SCHEMBL39390 0.94 ALDH1A1 (0.62) LMNAALDH1A1MAPK1CYP19A1MAPT
SCHEMBL5711693 0.94 ALDH1A1 (0.49) LMNAALDH1A1MAPK1MAPTRAB9A
Etocrylene SCHEMBL4076085 0.93 ALDH1A1 (0.61) LMNAALDH1A1MAPK1CYP19A1MAPT
SCHEMBL12832324 0.90 ALDH1A1 (0.56) LMNAALDH1A1MAPK1CYP19A1MAPT
SCHEMBL14451735 0.89 ALDH1A1 (0.55) LMNAALDH1A1MAPK1CYP19A1MAPT
Etocrylene SCHEMBL9180144 0.89 ALDH1A1 (0.67) LMNAALDH1A1MAPK1CYP19A1MAPT
SCHEMBL12758735 0.88 LMNA (0.54) LMNAALDH1A1MAPK1CYP19A1MAPT
SCHEMBL1998828 0.88 CYP19A1 (0.56) LMNAALDH1A1MAPK1CYP19A1MAPT

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