SCHEMBL9680940

SCHEMBL9680940

C=C(O)CSc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
ALOX15 P16050 5/20 0.46
CYP2C9 P11712 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
MIF P14174 1/20 0.46
TYR P14679 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
HPN P05981 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL10405742 0.81 ALOX15 (0.53) ALDH1A1ALOX15CYP2C9LMNATYR
SCHEMBL9788696 0.81 ALDH1A1 (0.53) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL11560736 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL9810876 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL9441416 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL11611680 0.75 MAOA (0.48) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL9340912 0.75 ALDH1A1 (0.59) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL316680 0.75 ALDH1A1 (0.59) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL7523538 0.74 ALDH1A1 (0.46) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL10626842 0.73 ALOX15 (0.61) ALDH1A1ALOX15CYP2C9NR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992019591-A1 PROCESS FOR PREPARATION OF ALPHA-ALKOXY ACETIC ACIDS AND THEIR SALTS G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512472-A1 Process for preparation of alpha-alkoxy acetic acids and their salts G.D. Searle & Co. (US) 1992-11-11 EP disclosed
US-5145992-A Oxyalkylation of an alcohol, reaction with monoaloacetic acid and then with hydrochloic acid G. D. SEARLE & CO. (US) 1992-09-08 US disclosed
EP-0434896-A1 Process for preparation of alpha-alkoxy acetic acids and their salts G.D. Searle & Co. (US) 1991-07-03 EP disclosed
EP-0431248-A1 Process for preparation of alpha-aryloxy acetic acids and their salts G.D. Searle & Co. (US) 1991-06-12 EP disclosed
US-5013864-A From alcohol and haloacetic acid salt G. D. SEARLE & CO. (US) 1991-05-07 US disclosed