SCHEMBL4642846

SCHEMBL4642846

O=C(O)c1cccc(CC(c2cccc(C(=O)O)c2)(c2cccc(C(=O)O)c2)c2cccc(C(=O)O)c2)c1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.54
MRGPRX4 Q96LA9 2/20 0.49
NR1H4 Q96RI1 1/20 0.47
NR4A2 P43354 2/20 0.46
KIF11 P52732 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
ANPEP P15144 1/20 0.45
ENPEP Q07075 1/20 0.45
MEP1B Q16820 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL4640475 0.98 FOLH1 (0.56) FOLH1MRGPRX4NR1H4NR4A2KIF11
SCHEMBL4642854 0.98 FOLH1 (0.56) FOLH1MRGPRX4NR1H4NR4A2KIF11
SCHEMBL10950038 0.83 FOLH1 (0.54) FOLH1MRGPRX4NR1H4NR4A2KIF11
SCHEMBL4642851 0.82 CA2 (0.41) FOLH1MRGPRX4
SCHEMBL4640477 0.80 LOXL2 (0.60) FOLH1MRGPRX4HIF1AKMT2A
SCHEMBL4641021 0.79 TDP1 (0.59) FOLH1CYP2C9HIF1AKMT2A
SCHEMBL9698969 0.79 FOLH1 (0.61) FOLH1MRGPRX4NR4A2CYP2D6CYP2C9
SCHEMBL31506361 0.77 FOLH1 (0.59) FOLH1MRGPRX4NR1H4CYP2D6CYP2C9
SCHEMBL849483 0.77 FOLH1 (0.59) FOLH1MRGPRX4NR4A2CYP2D6CYP2C9
SCHEMBL1690483 0.77 FOLH1 (0.59) FOLH1MRGPRX4NR1H4CYP2D6CYP2C9

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
EP-1120391-B1 MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND NIPPON SODA CO (JP) 2008-08-06 EP disclosed
US-6566548-B1 Alkylene- or phenylene- tetrabenzoic acids and derivatives NIPPON SODA CO., LTD. (JP) 2003-05-20 US disclosed
EP-1120391-A1 MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND NIPPON SODA CO., LTD. (JP) 2001-08-01 EP disclosed