SCHEMBL637737

SCHEMBL637737

CC(C)(C)OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HIF1A Q16665 1/20 0.52
DRD2 P14416 5/20 0.51
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
TDP1 Q9NUW8 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 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
SCHEMBL10329432 0.84 CA1 (0.54) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL2231127 0.82 ELANE (0.44) ALDH1A1MAPTTDP1TAAR1KMT2A
SCHEMBL2230682 0.81 KMT2A (0.49) ALDH1A1MAPTTDP1TAAR1KMT2A
SCHEMBL637464 0.81 ELANE (0.43) ALDH1A1MAPTTDP1TAAR1KMT2A
SCHEMBL916412 0.81 KMT2A (0.43) ALDH1A1MAPTTDP1TAAR1KMT2A
SCHEMBL2231640 0.81 TAAR1 (0.44) ALDH1A1MAPTTDP1TAAR1KMT2A
SCHEMBL27698153 0.80 ALDH1A1 (0.53) GAAKDM4EALDH1A1GLAMAPT
SCHEMBL917452 0.80 KMT2A (0.42) ALDH1A1MAPTTDP1TAAR1KMT2A
SCHEMBL2231742 0.80 TAAR1 (0.43) ALDH1A1MAPTTDP1TAAR1KMT2A
SCHEMBL639621 0.79 ELANE (0.41) ALDH1A1MAPTHPGDTDP1TAAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed