SCHEMBL19509033

SCHEMBL19509033

CCCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1OCCCC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CNR2 P34972 2/20 0.55
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
PPARG P37231 1/20 0.52
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CTSL P07711 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
CNR1 P21554 1/20 0.49
CTSB P07858 1/20 0.48

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
SCHEMBL19509029 0.93 ITGB3 (0.60) MEN1KMT2APTGESALOX5PPARG
SCHEMBL17695752 0.90 CNR2 (0.48) MEN1KMT2ACNR2ALDH1A1ALOX15
SCHEMBL17695789 0.87 MEN1 (0.46) MEN1KMT2ACNR2ALDH1A1ALOX15
SCHEMBL17695787 0.87 MEN1 (0.46) MEN1KMT2ACNR2ALDH1A1ALOX15
SCHEMBL3131881 0.87 ITGB3 (0.67) ALDH1A1ALOX15PPARGITGB3ITGA2B
SCHEMBL16119287 0.86 PTPN1 (0.52) MEN1KMT2APTGESALOX5PPARG
SCHEMBL8668133 0.85 SIRT2 (0.52) CNR2ALDH1A1ALOX15ITGB3ITGA2B
SCHEMBL29561342 0.84 MEN1 (0.53) MEN1KMT2AALDH1A1ALOX15ITGB3
SCHEMBL16315984 0.83 ITGB3 (0.49) CNR2PTGESALOX5PPARGITGB3
SCHEMBL8005403 0.83 ITGB3 (0.49) CNR2PTGESALOX5PPARGITGB3

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
WO-2017184871-A1 CARBIDOPA AND L-DOPA PRODRUGS AND METHODS OF USE ABBVIE INC. (US) 2017-10-26 WO disclosed