SCHEMBL7595902

SCHEMBL7595902

CC(C)(C)C(=O)OC1CCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ALDH1A1 P00352 6/20 0.48
POLB P06746 4/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL686129 0.86 ALDH1A1 (0.46) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL686277 0.86 ALDH1A1 (0.46) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL686279 0.83 MAPT (0.45) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL17589167 0.83 ALDH1A1 (0.44) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL685842 0.81 ALDH1A1 (0.40) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL6028694 0.79 MAPT (0.52) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL22323590 0.79 MAPT (0.52) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL22324061 0.79 MAPT (0.52) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL27963467 0.78 KDM4E (0.47) MAPTALDH1A1POLBLMNAUSP2
SCHEMBL12345830 0.78 MAPT (0.40) MAPTALDH1A1POLBLMNAUSP2

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
US-6384265-B1 ACID CATALYSIS FOR REARRANGEMENT/INVERSION OF STEREOCONFIGURATION; KINETIC RESOLUTION OF RACEMIC MIXTURES USING A CHIRAL CATALYST COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-05-07 US disclosed
EP-1169291-A1 METHODS FOR PRODUCING $g(a)-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-01-09 EP disclosed
WO-2000056696-A1 METHODS FOR PRODUCING α-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-09-28 WO disclosed