SCHEMBL9033145

SCHEMBL9033145

COCN1C(C)=C(C(=O)O)C(c2ccccc2)C(C(=O)OC)=C1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ADORA3 P0DMS8 1/20 0.53
PYGM P11217 2/20 0.53
PYGL P06737 1/20 0.53
LMNA P02545 4/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL9033367 0.93 PYGM (0.52) POLBADORA3PYGMPYGLLMNA
SCHEMBL9032772 0.87 ADORA3 (0.55) POLBADORA3LMNARECQLALDH1A1
SCHEMBL9033294 0.83 MAPT (0.65) POLBADORA3LMNACACNA1FCACNA1D
SCHEMBL9032974 0.83 MAPT (0.65) POLBADORA3LMNACACNA1FCACNA1D
SCHEMBL9033652 0.83 MAPT (0.65) POLBADORA3LMNACACNA1FCACNA1D
SCHEMBL9032956 0.83 MAPT (0.65) POLBADORA3LMNACACNA1FCACNA1D
SCHEMBL9032030 0.82 KDM4E (0.47) POLBADORA3PYGMPYGLLMNA
SCHEMBL9033159 0.82 ADORA3 (0.50) POLBADORA3PYGMPYGLLMNA
SCHEMBL9034860 0.81 ADORA3 (0.52) POLBADORA3LMNARECQLALDH1A1
SCHEMBL9033495 0.79 PYGM (0.42) POLBADORA3PYGMPYGLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474129-B1 1,4-Dihydropyridine derivatives and process for preparing the same ACHIWA KAZUO (JP) 1996-12-18 EP disclosed
US-5336774-A 1,4-dihydropyridine 3,5 carboxyl compounds ACHIWA KAZUO (JP) 1994-08-09 US disclosed
US-5234821-A Process for preparing 1,4 dihydropyridine compounds ACHIWA KAZUO (JP) 1993-08-10 US disclosed
EP-0474129-A2 1,4-Dihydropyridine derivatives and process for preparing the same Achiwa, Kazuo (JP) 1992-03-11 EP disclosed