SCHEMBL7964491

SCHEMBL7964491

CCOc1cc(C)oc(=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 3/20 0.51
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CYP1A2 P05177 3/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7469324 0.86 ALDH1A1 (0.51) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL7457655 0.85 CA1 (0.51) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL12408515 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL8677199 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL9947508 0.82 PLA2G2A (0.49) KDM4EALDH1A1MAPTPOLBCA1
SCHEMBL7463651 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL7461497 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL11856166 0.80 KDM4E (0.55) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL1263805 0.78 CA1 (0.54) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL7462938 0.78 KDM4E (0.44) KDM4EALDH1A1MAPTPOLBCA1

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
US-11542454-B2 Base oil or lubricant additive IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-01-03 US disclosed
US-20220033729-A1 BASE OIL OR LUBRICANT ADDITIVE NATIONAL SCIENCE FOUNDATION 2022-02-03 US disclosed
US-6288109-B1 Pyranones, method for the production and use thereof DR. WILLMAR SCHWABE GMBH & CO. (DE) 2001-09-11 US disclosed
EP-1032572-A2 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF Dr. Willmar Schwabe GmbH & Co. (DE) 2000-09-06 EP disclosed
WO-1999025716-A9 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1999-09-02 WO disclosed
WO-1999025716-A2 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1999-05-27 WO disclosed