SCHEMBL7590749

SCHEMBL7590749

O=C(OC1CCCCC1=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.55
PKM P14618 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAPT P10636 1/20 0.41
BCHE P06276 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
SCHEMBL2117154 0.80 KMT2A (0.53) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL2119946 0.79 KMT2A (0.56) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4703081 0.77 ALDH1A1 (0.68) POLBPKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL6907958 0.77 ALDH1A1 (0.68) POLBPKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL6909436 0.77 ALDH1A1 (0.68) POLBPKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL7596596 0.76 PKM (0.71) POLBPKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL9542149 0.76 KMT2A (0.55) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL7590574 0.76 ALDH1A1 (0.67) POLBPKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL7599667 0.76 ALDH1A1 (0.67) POLBPKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL5697601 0.75 KMT2A (0.43) POLBALDH1A1KDM4EKMT2AMEN1

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