SCHEMBL9463186

SCHEMBL9463186

O=C(O)CCCCP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.96
MAPT P10636 3/20 0.70
GAA P10253 2/20 0.70
ALDH1A1 P00352 2/20 0.70
ALPG P10696 1/20 0.70
ALOX12 P18054 1/20 0.70
NPY1R P25929 1/20 0.70
HTT P42858 1/20 0.70
NPY2R P49146 1/20 0.70
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
USP2 O75604 1/20 0.57
MEN1 O00255 1/20 0.55
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48

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
SCHEMBL10780224 0.98 NPSR1 (1.00) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL9935641 0.86 NPSR1 (0.72) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL4162470 0.85 ALDH1A1 (0.95) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL29169490 0.84 NPSR1 (0.70) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL10426396 0.83 ALDH1A1 (1.00) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL10060106 0.83 ALDH1A1 (1.00) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL14493538 0.83 ALDH1A1 (1.00) NPSR1MAPTGAAALDH1A1ALPG
Hydrogen Peroxide SCHEMBL8610678 0.83 ALDH1A1 (0.82) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL27410799 0.82 NPSR1 (0.68) NPSR1MAPTGAAALDH1A1ALPG
SCHEMBL14287628 0.81 NPSR1 (0.72) NPSR1MAPTGAAALDH1A1ALPG

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
CN-106467465-A A kind of high-purity Latanoprost and its production and use 上海天伟生物制药有限公司 2017-03-01 CN disclosed
WO-2016090461-A1 SALTS OF PROSTAGLANDIN ANALOG INTERMEDIATES APOTEX INC. (CA) 2016-06-16 WO disclosed
US-5266710-A (Exo,exo)-7-oxabicyclo[2.2.1]heptane-2,3-dimethanol; monoacyl ester and diacyl ester PATEL RAMESH N (US) 1993-11-30 US disclosed
US-5245055-A Multistage, ylide intermediate, treatment of thrombosis E. R. SQUIBB & SONS, INC. (US) 1993-09-14 US disclosed
EP-0491548-A2 Processes and intermediates for thromboxane receptor antagonists E.R. SQUIBB & SONS, INC. (US) 1992-06-24 EP disclosed
US-5084387-A Enzyme hydrolytic deesterification and cyclization E. R. SQUIBB & SONS, INC. (US) 1992-01-28 US disclosed
US-5084581-A Hydrolysis with alkali metal carbonate, bicarbonate or hydroxide and cyclization E. R. SQUIBB & SONS, INC. (US) 1992-01-28 US disclosed
US-4189606-A ABOSTIFACIENT GRUPPO LEPETIT S.P.A. (IT) 1980-02-19 US disclosed
US-4182903-A ABOSTIFACIENTS GRUPPO LEPETIT S.P.A. (IT) 1980-01-08 US disclosed