SCHEMBL9033367

SCHEMBL9033367

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGM P11217 2/20 0.52
PYGL P06737 1/20 0.52
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ADORA3 P0DMS8 1/20 0.46
LMNA P02545 5/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
CACNA1B Q00975 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
KMT2A Q03164 1/20 0.41
SIRT3 Q9NTG7 2/20 0.41
PKM P14618 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 0.93 POLB (0.54) PYGMPYGLKDM4EGAAADORA3
SCHEMBL9033495 0.85 PYGM (0.42) PYGMPYGLKDM4EGAAADORA3
SCHEMBL11685783 0.84 TSHR (0.52) PYGMPYGLKDM4EGAARECQL
SCHEMBL9032030 0.83 KDM4E (0.47) PYGMPYGLKDM4EGAAADORA3
SCHEMBL11691222 0.81 PYGL (0.56) PYGMPYGLKDM4EGAAALDH1A1
SCHEMBL9032893 0.81 CYP1A2 (0.57) ADORA3LMNAPOLBCACNA1BCACNA1F
SCHEMBL9033536 0.81 CYP1A2 (0.57) ADORA3LMNAPOLBCACNA1BCACNA1F
SCHEMBL9032772 0.80 ADORA3 (0.55) KDM4EGAAADORA3LMNARECQL
SCHEMBL11687513 0.79 KDM4E (0.49) KDM4EGAALMNASMN1; SMN2POLB
SCHEMBL9034113 0.78 CACNA1C (0.48) PYGMPYGLKDM4EGAAADORA3

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