SCHEMBL7166555

SCHEMBL7166555

COC(=O)c1ccc(CC(c2ccc(C(=O)OC)cc2)(c2ccc(C(=O)OC)cc2)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
MAPT P10636 2/20 0.55
CYP4A11 Q02928 2/20 0.53
CYP4F2 P78329 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PTPRB P23467 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4643521 0.83 LMNA (0.59) CA1CA2MAPTTDP1CA12
SCHEMBL9917356 0.81 LOXL2 (0.61) LOXL2CA1CA2MAPTCYP4A11
SCHEMBL4640564 0.80 ALDH1A1 (0.58) MAPTTDP1MEN1KMT2ATSHR
SCHEMBL850747 0.80 LOXL2 (0.59) LOXL2CA1CA2MAPTCYP4A11
SCHEMBL10661402 0.79 LOXL2 (0.62) LOXL2CA1CA2MAPTCYP4A11
SCHEMBL2241573 0.77 LOXL2 (0.56) LOXL2CA1CA2MAPTCYP4A11
SCHEMBL31185775 0.77 LOXL2 (0.56) LOXL2CA1CA2MAPTCYP4A11
SCHEMBL1598468 0.77 ALDH1A1 (0.52) MAPTTDP1MEN1KMT2ATSHR
SCHEMBL9072931 0.77 CA1 (0.60) LOXL2CA1CA2MAPTCYP4A11
SCHEMBL25955548 0.77 CA1 (0.50) LOXL2CA1CA2MAPTCYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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