SCHEMBL23280995

SCHEMBL23280995

COCC(=O)N[C@@H](Cc1ccc(OCCN)cc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.52
ITGA2B P08514 11/20 0.52
ACACB O00763 2/20 0.49
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 3/20 0.44
ACACA Q13085 1/20 0.43

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
SCHEMBL14547360 0.77 ITGB3 (0.48) ITGB3ITGA2BALDH1A1LMNAPPARG
SCHEMBL24899918 0.77 ITGB3 (0.48) ITGB3ITGA2BPPARG
SCHEMBL15214440 0.77 GLA (0.46) ITGB3ITGA2BMEN1ALDH1A1LMNA
SCHEMBL22472727 0.76 ITGB3 (0.50) ITGB3ITGA2BPPARG
SCHEMBL17985761 0.76 CPA1 (0.42) ITGB3ITGA2BACACBPPARG
SCHEMBL31688995 0.74 ITGB3 (0.63) ITGB3ITGA2BPPARG
SCHEMBL3051539 0.74 PTPN1 (0.52)
SCHEMBL2619544 0.73 PPARG (0.44) ITGB3ITGA2BMEN1ALDH1A1LMNA
SCHEMBL23695619 0.72 ITGB3 (0.58) ITGB3ITGA2BACACBALDH1A1PPARG
SCHEMBL18262496 0.71 LDHA (0.57) KMT2APPARG

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-3812376-A1 PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Santolecan Pharmaceuticals LLC (US) 2021-04-28 EP disclosed