SCHEMBL19509029

SCHEMBL19509029

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.60
ITGA2B P08514 13/20 0.60
ITGAV P06756 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PTGES O14684 1/20 0.55
ALOX5 P09917 1/20 0.55
PPARG P37231 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL19509033 0.93 MEN1 (0.57) ITGB3ITGA2BMEN1KMT2APTGES
SCHEMBL3643477 0.89 ITGB3 (0.58) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL3643481 0.89 ITGB3 (0.58) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL18244718 0.87 MEN1 (0.53) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL7295683 0.86 MEN1 (0.56) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL7295680 0.86 MEN1 (0.56) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL16119287 0.85 PTPN1 (0.52) ITGB3ITGA2BMEN1KMT2APTGES
SCHEMBL10349352 0.85 ITGB3 (0.78) ITGB3ITGA2BITGAVCTSLCTSS
SCHEMBL17695752 0.83 CNR2 (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL8005589 0.83 ITGB3 (0.61) ITGB3ITGA2BPTGESALOX5PPARG

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