SCHEMBL4640477

SCHEMBL4640477

COC(=O)c1cccc(CC(c2cccc(C(=O)OC)c2)(c2cccc(C(=O)OC)c2)c2cccc(C(=O)OC)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
CYP4F2 P78329 2/20 0.59
CYP4A11 Q02928 2/20 0.59
SLC7A5 Q01650 1/20 0.52
MRGPRX4 Q96LA9 4/20 0.51
PTPRB P23467 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.47
TSHR P16473 2/20 0.46
FOLH1 Q04609 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
ABHD6 Q9BV23 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
SCHEMBL4641160 0.85 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1KDM4EMAPT
SCHEMBL4642826 0.84 LMNA (0.54) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL1690464 0.83 LOXL2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL10144968 0.81 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL4641021 0.81 TDP1 (0.59) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4640475 0.81 FOLH1 (0.56) MRGPRX4HIF1AFOLH1KMT2A
SCHEMBL4642854 0.81 FOLH1 (0.56) MRGPRX4HIF1AFOLH1KMT2A
SCHEMBL30230926 0.80 LOXL2 (0.72) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL1310595 0.80 LOXL2 (0.67) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL4642846 0.80 FOLH1 (0.54) MRGPRX4HIF1AFOLH1KMT2A

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