SCHEMBL9681733

SCHEMBL9681733

CCOC(=O)C(=Cc1ccccc1C=O)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 4/20 0.49
PLIN1 O60240 1/20 0.49
POLB P06746 1/20 0.49
PLIN5 Q00G26 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
DHODH Q02127 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 1.00 MAPT (0.49) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9680642 0.88 MAPT (0.47) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL4388708 0.83 CYP1A2 (0.51) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9680987 0.83 KMT2A (0.50) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9680982 0.83 KMT2A (0.50) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL24611347 0.82 LMNA (0.57) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9681557 0.82 MEN1 (0.38) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL28330434 0.82 LMNA (0.57) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL9681561 0.82 MEN1 (0.38) MAPTMEN1KMT2ALMNAPLIN1
SCHEMBL14198607 0.79 MEN1 (0.72) 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