SCHEMBL4642826

SCHEMBL4642826

CCCOC(=O)c1cccc(CC(c2cccc(C(=O)OCCC)c2)(c2cccc(C(=O)OCCC)c2)c2cccc(C(=O)OCCC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.52
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
SLC6A2 P23975 2/20 0.45
TSHR P16473 2/20 0.45
ESR1 P03372 1/20 0.45
CHRM1 P11229 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC7A5 Q01650 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
NR1I2 O75469 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42

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 0.90 CYP4F2 (0.58) LMNAALDH1A1CYP4F2CYP4A11TSHR
SCHEMBL4640477 0.84 LOXL2 (0.60) ALDH1A1CYP4F2CYP4A11TSHRKDM4E
SCHEMBL3033016 0.84 LMNA (0.66) LMNAALDH1A1CYP4F2CYP4A11SLC6A2
SCHEMBL4641021 0.83 TDP1 (0.59) LMNAALDH1A1SLC6A2TDP1KDM4E
SCHEMBL31575815 0.82 LMNA (0.60) LMNAALDH1A1SLC6A2TSHRESR1
SCHEMBL20267329 0.82 LMNA (0.60) LMNAALDH1A1SLC6A2TSHRESR1
SCHEMBL15344632 0.81 LMNA (0.62) LMNAALDH1A1CYP4F2CYP4A11SLC6A2
SCHEMBL111664 0.80 LMNA (0.75) LMNAALDH1A1SLC6A2TSHRESR1
SCHEMBL6527211 0.80 LMNA (0.60) LMNAALDH1A1CYP4F2CYP4A11SLC6A2
SCHEMBL31346674 0.80 LMNA (0.60) LMNAALDH1A1CYP4F2CYP4A11SLC6A2

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