SCHEMBL7590968

SCHEMBL7590968

Cc1ccc(C(=O)OC2CCCCC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
POLB P06746 3/20 0.63
LMNA P02545 2/20 0.63
USP2 O75604 1/20 0.63
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.50
PKM P14618 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.44

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
SCHEMBL7592787 0.85 ALDH1A1 (0.71) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL7603474 0.85 PKM (0.62) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL6907958 0.84 ALDH1A1 (0.68) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL6909436 0.84 ALDH1A1 (0.68) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL4703081 0.84 ALDH1A1 (0.68) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL7590574 0.83 ALDH1A1 (0.67) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL7599667 0.83 ALDH1A1 (0.67) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL28966107 0.83 ALDH1A1 (0.54) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL7598046 0.83 ALDH1A1 (0.67) ALDH1A1POLBLMNAUSP2KDM4E
SCHEMBL7633022 0.80 MEN1 (0.60) ALDH1A1POLBLMNAUSP2KDM4E

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