SCHEMBL9680987

SCHEMBL9680987

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MAPT P10636 7/20 0.50
MEN1 O00255 6/20 0.50
LMNA P02545 4/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
NPSR1 Q6W5P4 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
DHODH Q02127 1/20 0.40
CYP1A2 P05177 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
SCHEMBL9680982 1.00 KMT2A (0.50) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL21065589 0.85 KMT2A (0.51) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL3123681 0.84 MAPT (0.50) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL3123693 0.84 MAPT (0.50) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL6220713 0.84 MAPT (0.50) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL6220710 0.84 MAPT (0.50) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL9681733 0.83 MAPT (0.49) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL9681724 0.83 MAPT (0.49) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL6219624 0.83 LMNA (0.49) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL7882435 0.83 MAPT (0.49) KMT2AMAPTMEN1LMNAPLIN1

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