SCHEMBL7600356

SCHEMBL7600356

O=C(OC12CCCCC1O2)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
CASP1 P29466 2/20 0.38
CASP8 Q14790 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
EPHX1 P07099 1/20 0.37
CNR1 P21554 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL6903507 0.79 KMT2A (0.40) ALDH1A1KMT2AGAAPOLBMEN1
SCHEMBL6905915 0.79 KMT2A (0.40) ALDH1A1KMT2AGAAPOLBMEN1
SCHEMBL6907956 0.79 KMT2A (0.40) ALDH1A1KMT2AGAAPOLBMEN1
SCHEMBL7639019 0.78 POLB (0.41) ALDH1A1KMT2AGAAPOLBMEN1
SCHEMBL7716682 0.72 KMT2A (0.39) ALDH1A1KDM4EKMT2AGAAPOLB
SCHEMBL7610955 0.71 ALDH1A1 (0.41) ALDH1A1KMT2AGAAPOLBHPGD
SCHEMBL2117154 0.71 KMT2A (0.53) ALDH1A1KDM4EKMT2AGAAPOLB
SCHEMBL4981052 0.70 KMT2A (0.40) ALDH1A1KDM4EKMT2AGAAPOLB
SCHEMBL2119946 0.70 KMT2A (0.56) ALDH1A1KDM4EKMT2AGAAPOLB
SCHEMBL28847733 0.69 HPGD (0.47) ALDH1A1KDM4EKMT2AGAAPOLB

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