SCHEMBL9875461

SCHEMBL9875461

COC(=O)c1cccc(CBr)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
SLC7A5 Q01650 1/20 0.52
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 3/20 0.47
FOLH1 Q04609 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR3C1 P04150 1/20 0.45
LMNA P02545 1/20 0.45
PTGDR2 Q9Y5Y4 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
SCHEMBL28212 0.88 LOXL2 (0.70) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL29592260 0.88 LOXL2 (0.70) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
Ammonia Solution, Strong SCHEMBL27820867 0.87 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL197540 0.84 TSHR (0.53) LOXL2CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL7252008 0.83 CYP4F2 (0.44) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
Bromide SCHEMBL993360 0.82 TSHR (0.58) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL17656729 0.80 LOXL2 (0.59) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
Methyl Benzoate SCHEMBL28154074 0.80 TSHR (0.76) ALDH1A1HPGDTSHRRAB9AMAPT
SCHEMBL17164349 0.80 CYP4F2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL30506526 0.80 CYP4F2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043456-A 6-oxa and thiabicyclo [3.1.0.] compounds SHIONOGI & CO., LTD. (JP) 1991-08-27 US disclosed
US-5043451-A Bicyclo (2.2.1.) hept-exo-2-yl and bicyclo (2.2.2.) oct-endo-2-yl compounds SHIONOGI & CO., LTD. (JP) 1991-08-27 US disclosed
US-5041635-A 5(Z)-7-(endo-3-benzenesulfonamidobicyclo[2.2.1]hept-exo-2-yl)-5-heptenoic acid, sodium salt SHIONOGI & CO., LTD. (JP) 1991-08-20 US disclosed
EP-0226346-B1 BICYCLIC SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-08-14 EP disclosed
US-4976891-A Antithrombotic, antivasoconstricting, antibronchoconstricting SHIONOGI & CO., LTD. (JP) 1990-12-11 US disclosed
US-4960909-A ANTICOAGULANTS; VASODILATORS; BRONCHODILATOR AGENTS SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
US-4861913-A Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1989-08-29 US disclosed
EP-0226346-A1 Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1987-06-24 EP disclosed
US-4474804-A 7-Oxabicyclo substituted prostaglandin phenyl carboxylic acid derivatives useful as cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed