SCHEMBL4640084

SCHEMBL4640084

COC(=O)c1cc(CC(c2cc(C)c(C)c(C(=O)OC)c2)(c2cc(C)c(C)c(C(=O)OC)c2)c2cc(C)c(C)c(C(=O)OC)c2)cc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CFTR P13569 1/20 0.34
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
CA12 O43570 2/20 0.33

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
SCHEMBL4641134 0.87 TSHR (0.41) KDM4EGAAMAPTALDH1A1ALOX15
SCHEMBL4639908 0.83 ALDH1A1 (0.43) KDM4EALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL4640044 0.83 HMGB1 (0.45) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL4644056 0.81 CYP3A4 (0.46) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL20139840 0.78 KDM4E (0.42) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL29932867 0.78 KDM4E (0.42) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL1228123 0.76 CYP4A11 (0.47) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL27387385 0.76 CFTR (0.53) KDM4EMAPTCFTR
SCHEMBL1229402 0.75 MAPT (0.41) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL1228162 0.73 ALDH1A1 (0.39) KDM4EGAAMAPTALDH1A1HPGD

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