SCHEMBL5879513

SCHEMBL5879513

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
TERT O14746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5879673 0.81 HSD17B10 (0.63) ALDH1A1HSD17B10MAPTLMNAKDM4E
SCHEMBL5879789 0.81 ITGB3 (0.44) ALDH1A1HSD17B10KDM4EUSP2CASP1
SCHEMBL9886515 0.80 KMT2A (0.60) DTYMKALDH1A1HSD17B10MAPTLMNA
SCHEMBL5879692 0.79 NOS2 (0.48) ALDH1A1HSD17B10MAPTKDM4EUSP2
SCHEMBL5879731 0.73 HSD17B10 (0.64) ALDH1A1HSD17B10MAPTLMNATSHR
SCHEMBL5879838 0.72 ITGB3 (0.49) ALDH1A1HSD17B10
SCHEMBL4310756 0.72 DTYMK (0.49) DTYMKALDH1A1HSD17B10MAPTLMNA
SCHEMBL5879645 0.69 ITGB3 (0.61) HSD17B10TSHRKDM4ECASP1CASP7
SCHEMBL29659287 0.68 KMT2A (0.57) DTYMKALDH1A1MAPTLMNACHRM2
SCHEMBL578012 0.68 KMT2A (0.57) DTYMKALDH1A1MAPTLMNACHRM2

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
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed