SCHEMBL10972441

SCHEMBL10972441

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.39
▸ NOS2 P35228 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL11129156 0.91 HTT (0.39) LMNASMN1; SMN2KMT2APSMB8PSMB5
SCHEMBL11125479 0.88 LMNA (0.51) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10653540 0.88 LMNA (0.47) LMNASMN1; SMN2TP53NOS2KMT2A
SCHEMBL6838403 0.88 LMNA (0.47) LMNASMN1; SMN2TP53NOS2KMT2A
SCHEMBL11124423 0.86 LMNA (0.42) LMNASMN1; SMN2
SCHEMBL6667620 0.85 PSMB5 (0.44) LMNASMN1; SMN2PSMB8PSMB5CTSB
SCHEMBL11122837 0.84 LMNA (0.42) LMNASMN1; SMN2TP53NOS2KMT2A
SCHEMBL11455957 0.82 PTPN1 (0.44) LMNAKMT2A
SCHEMBL11446573 0.82 LMNA (0.46) LMNAKMT2AALDH1A1
SCHEMBL6666650 0.81 PSMB5 (0.40) LMNASMN1; SMN2PSMB8PSMB5CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4508710-A DICHLORODIETHYLAMINOPHENYLALANINE, PARAFLUOROPHENYLALANINE AND METHIONINE PROTER S.P.A. (IT) 1985-04-02 — — US disclosed
EP-0056565-B1 DERIVATIVES OF DI(-2-CHLOROETHYL) AMINOPHENYL ALANINE WITH ANTITUMOUR ACTIVITY PROTER S.p.A. (IT) 1984-12-05 — — EP disclosed
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