SCHEMBL9680642

SCHEMBL9680642

CCCC(=Cc1ccccc1C=O)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 5/20 0.47
PLIN1 O60240 1/20 0.47
POLB P06746 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
DHODH Q02127 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 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
SCHEMBL9681724 0.88 MAPT (0.49) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9681733 0.88 MAPT (0.49) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9680987 0.80 KMT2A (0.50) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9680982 0.80 KMT2A (0.50) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL25060077 0.75 KMT2A (0.39) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9681727 0.74 CYP2C9 (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL9681737 0.74 CYP2C9 (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16938359 0.74 MAPT (0.48) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL5607239 0.73 CA12 (0.50) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL25060105 0.72 LMNA (0.36) MAPTMEN1KMT2ALMNAPLIN1

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
US-5162345-A Dihydropyridinedicarboxylate Derivatives GLAXO, S.P.A. (IT) 1992-11-10 US disclosed
US-5091395-A Hypotensive agents GLAXO S.P.A. (IT) 1992-02-25 US disclosed
EP-0226271-B1 1,4-DIHYDROPYRIDINE COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO S.p.A. (IT) 1990-11-22 EP disclosed
EP-0226271-A1 1,4-Dihydropyridine compounds and their preparation and pharmaceutical formulation GLAXO S.p.A. (IT) 1987-06-24 EP disclosed