SCHEMBL9034860

SCHEMBL9034860

COCN1C(OC)=C(C(=O)OC)C(c2ccccc2)C(C(=O)OC)=C1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.52
POLB P06746 1/20 0.50
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
LMNA P02545 3/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL9033145 0.81 POLB (0.54) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL9032772 0.77 ADORA3 (0.55) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL9033367 0.75 PYGM (0.52) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL9033159 0.72 ADORA3 (0.50) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL3905675 0.72 ADORA3 (0.83) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL5363492 0.71 TSHR (0.74) ADORA3POLBLMNARECQLALDH1A1
SCHEMBL7920096 0.69 ALDH1A1 (0.66) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL6951320 0.69 ADORA3 (0.76) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL9088494 0.69 ADORA3 (0.76) ADORA3POLBCACNA1FCACNA1DCACNA1S
SCHEMBL20610477 0.69 ADORA3 (1.00) ADORA3POLBCACNA1FCACNA1DCACNA1S

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