SCHEMBL6843476

SCHEMBL6843476

CCOC(=O)[C@@H](N)Cc1cccc(N(CCCl)CCCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL1071414 0.85 SMN1; SMN2 (0.68) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
Metamelfalan SCHEMBL2015275 0.83 CYP3A4 (0.70) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
Metamelfalan SCHEMBL30781236 0.83 CYP3A4 (0.70) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
Metamelfalan SCHEMBL2015272 0.83 CYP3A4 (0.70) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
Metamelfalan SCHEMBL6842568 0.83 CYP3A4 (0.70) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
SCHEMBL6838403 0.82 LMNA (0.47) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
SCHEMBL10653540 0.82 LMNA (0.47) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
SCHEMBL11127008 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
Hydrochloric Acid SCHEMBL11124542 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1
SCHEMBL29038261 0.81 SMN1; SMN2 (0.62) SMN1; SMN2LMNAALDH1A1CYP3A4MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767992-B1 USED FOR CHEMOTHERAPY AGAINST CANCERS AND IS USED ESPECIALLY FOR MELANOMAS PTC PHARMA AG (CH) 2004-07-27 — — US disclosed
EP-1129107-B1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC PHARMA AG (CH) 2003-12-17 — — EP disclosed
EP-1129107-A1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC Pharma AG (CH) 2001-09-05 — — EP disclosed
WO-2000031119-A1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC PHARMA AG (CH) 2000-06-02 — — WO disclosed
EP-0056565-B1 DERIVATIVES OF DI(-2-CHLOROETHYL) AMINOPHENYL ALANINE WITH ANTITUMOUR ACTIVITY PROTER S.p.A. (IT) 1984-12-05 — — EP disclosed
EP-0056565-A1 Derivatives of di(-2-chloroethyl) aminophenyl alanine with antitumour activity PROTER S.p.A. (IT) 1982-07-28 — — EP disclosed
US-4216208-A N-Acyl derivatives of glucosamines having antitumor chemotherapeutic activity PROTER S.P.A. (IT) 1980-08-05 — — US disclosed
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