SCHEMBL13349132

SCHEMBL13349132

CCOC(=O)COC(C)CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
NLRP3 Q96P20 5/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL3391282 0.83 CYP1A2 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3391285 0.83 CYP1A2 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13588479 0.83 TDP1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3248904 0.82 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24267191 0.82 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL1263043 0.82 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL1262789 0.82 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29207624 0.82 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3257727 0.82 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29207625 0.82 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1

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
CN-115362216-A Film-forming composition 日产化学株式会社 2022-11-18 CN disclosed
CN-101748284-A Method for recovering precious metals IND TECH RES INST 2010-06-23 CN disclosed
US-7741345-B2 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. (US) 2010-06-22 US disclosed