SCHEMBL8480692

SCHEMBL8480692

COC(=O)COc1ccc(CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPK1 P28482 1/20 0.64
KLK7 P49862 1/20 0.52
MAPT P10636 3/20 0.52
ALOX5 P09917 1/20 0.51
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
PAM P19021 1/20 0.50
LIPE Q05469 1/20 0.50
POLB P06746 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 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
SCHEMBL12687870 0.94 ALDH1A1 (0.59) L3MBTL1ALDH1A1MAPK1KLK7MAPT
SCHEMBL7326238 0.87 ALDH1A1 (0.70) L3MBTL1ALDH1A1MAPK1MAPTALOX5
SCHEMBL1491531 0.85 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1MAPTALOX5
SCHEMBL12697639 0.85 ALDH1A1 (0.59) L3MBTL1ALDH1A1MAPK1KLK7MAPT
SCHEMBL810045 0.85 RAB9A (0.63) L3MBTL1ALDH1A1MAPTPOLBMEN1
SCHEMBL28207459 0.85 ALDH1A1 (0.77) L3MBTL1ALDH1A1MAPK1ALOX5PRKCA
SCHEMBL2658123 0.85 ALDH1A1 (0.77) L3MBTL1ALDH1A1MAPK1ALOX5PRKCA
SCHEMBL20867886 0.85 ALDH1A1 (0.77) L3MBTL1ALDH1A1MAPK1ALOX5PRKCA
SCHEMBL8605265 0.84 L3MBTL1 (0.57) L3MBTL1ALDH1A1MAPK1MAPTALOX5
SCHEMBL1171464 0.84 ALDH1A1 (0.74) L3MBTL1ALDH1A1MAPK1KLK7MAPT

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-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5700801-A ANTIINFLAMMATORY AGENTS, BONE DISORDERS KARL THOMAE, GMBH (DE) 1997-12-23 US disclosed