SCHEMBL9269293

SCHEMBL9269293

CC(C)(C)OC(=O)c1c(N)cccc1C(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.38
MMP2 P08253 1/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 5/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
CASP7 P55210 2/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAPT P10636 2/20 0.33
HIF1A Q16665 2/20 0.33
THRB P10828 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL976497 0.87 MMP2 (0.47) GRM6MMP2KDM4EALDH1A1HSD17B10
SCHEMBL9269299 0.77 SMN1; SMN2 (0.36) GRM6MMP2KDM4EALDH1A1HSD17B10
SCHEMBL2730411 0.75 GRM6 (0.49) GRM6MMP2KDM4EALDH1A1HSD17B10
SCHEMBL27651123 0.74 GRM6 (0.42) GRM6MMP2KDM4EALDH1A1HSD17B10
SCHEMBL6577861 0.74 ALOX15 (0.43) GRM6KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3869825 0.72 GRM6 (0.33) GRM6KDM4EALDH1A1HSD17B10GLA
SCHEMBL6995362 0.72 ALDH1A1 (0.53) GRM6KDM4EALDH1A1HSD17B10GLA
SCHEMBL6112152 0.72 GRM6 (0.48) GRM6KDM4EALDH1A1HSD17B10GLA
SCHEMBL7393739 0.72 POLB (0.52) THRBMEN1KMT2APARP1POLB
SCHEMBL30142643 0.71 KMT2A (0.38) GAAMAPTKMT2ASMN1; SMN2ADRA1A

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-0243929-B1 Polypeptide and protein derivatives and process for their preparation OFFORD ROBIN EWART (CH) 1995-09-27 EP disclosed