SCHEMBL6838403

SCHEMBL6838403

CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1cccc(N(CCCl)CCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CYP3A4 P08684 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ NFKB1 P19838 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
SCHEMBL10653540 1.00 LMNA (0.47) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
Melphalan Flufenamide SCHEMBL24101233 0.92 LMNA (0.53) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
Melphalan Flufenamide SCHEMBL18239898 0.92 LMNA (0.53) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
Melphalan Flufenamide SCHEMBL20208719 0.92 LMNA (0.53) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
Melphalan Flufenamide SCHEMBL29375249 0.91 LMNA (0.52) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
Ambamustine SCHEMBL62822 0.90 LMNA (0.41) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
Ambamustine SCHEMBL1419557 0.90 LMNA (0.40) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
SCHEMBL10657935 0.88 LMNA (0.55) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15
SCHEMBL10972441 0.88 LMNA (0.43) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL25022336 0.86 LMNA (0.43) LMNASMN1; SMN2CYP3A4ALDH1A1ALOX15

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 4 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
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