SCHEMBL9760205

SCHEMBL9760205

COCC(=O)/C(=C/c1cccc(Cl)c1Cl)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9760210 1.00 MAPT (0.45) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4539659 0.83 MAPT (0.46) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4539662 0.83 MAPT (0.46) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10387257 0.83 MAPT (0.46) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7433136 0.78 MAPT (0.45) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11199388 0.78 NPSR1 (0.42) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7433134 0.78 MAPT (0.45) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4776452 0.76 CYP1A2 (0.45) MAPTSMN1; SMN2PTGS2HPGDNPC1
SCHEMBL4776457 0.76 CYP1A2 (0.45) MAPTSMN1; SMN2PTGS2HPGDNPC1
SCHEMBL7322381 0.75 SMN1; SMN2 (0.38) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026863-A Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed
US-4983740-A Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide ADIR ET COMPAGNIE (FR) 1991-01-08 US disclosed
US-4870091-A CALCIUM CHANNEL BLOCKERS ADIR ET CIE (FR) 1989-09-26 US disclosed