SCHEMBL4640044

SCHEMBL4640044

Cc1cc(CC(c2cc(C)c(C)c(C(=O)O)c2)(c2cc(C)c(C)c(C(=O)O)c2)c2cc(C)c(C)c(C(=O)O)c2)cc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.45
CXCL12 P48061 1/20 0.45
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H4 Q96RI1 1/20 0.37
RXRB P28702 2/20 0.33
NOTUM Q6P988 2/20 0.33
RXRA P19793 1/20 0.33
KLKB1 P03952 1/20 0.33
CTSB P07858 1/20 0.33
MMP9 P14780 1/20 0.33
DNMT1 P26358 1/20 0.33
DNMT3B Q9UBC3 1/20 0.33
DNMT3L Q9UJW3 1/20 0.33
DNMT3A Q9Y6K1 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL4640084 0.83 KDM4E (0.39) HMGB1CXCL12KDM4EALDH1A1HPGD
SCHEMBL4641134 0.81 TSHR (0.41) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL7170533 0.79 KDM4E (0.44) HMGB1CXCL12KDM4EMEN1KMT2A
SCHEMBL27816873 0.77 HMGB1 (0.52) HMGB1CXCL12KDM4EMEN1KMT2A
SCHEMBL28960438 0.77 HMGB1 (0.52) HMGB1CXCL12KDM4EMEN1KMT2A
SCHEMBL674118 0.70 ESR1 (0.50) HMGB1CXCL12MEN1KMT2AALDH1A1
SCHEMBL90325 0.69 KDM4E (0.70) HMGB1CXCL12KDM4EMEN1KMT2A
SCHEMBL4644056 0.68 CYP3A4 (0.46) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL1259082 0.68 KDM4E (0.63) HMGB1CXCL12KDM4EMEN1KMT2A
SCHEMBL4643313 0.67 CYP3A4 (0.50) KDM4ETDP1ALDH1A1HPGDGAA

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