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Sugi Predict / Compounds / SCHEMBL19232199

SCHEMBL19232199

SCHEMBL19232199

CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CSSCC(C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.65
▸ PLAU P00749 2/20 0.58
▸ CTSG P08311 2/20 0.57
▸ KDM4A O75164 1/20 0.57
▸ ITGB3 P05106 1/20 0.53
▸ ITGB1 P05556 1/20 0.53
▸ ITGAV P06756 1/20 0.53
▸ ITGA5 P08648 1/20 0.53
▸ ITGB5 P18084 1/20 0.53
▸ NNMT P40261 1/20 0.53
▸ SSTR1 P30872 1/20 0.52
▸ SSTR2 P30874 1/20 0.52
▸ SSTR4 P31391 1/20 0.52
▸ SSTR3 P32745 1/20 0.52
▸ SSTR5 P35346 1/20 0.52
▸ PCSK9 Q8NBP7 1/20 0.52
▸ TSLP Q969D9 3/20 0.51
▸ ELANE P08246 4/20 0.51
▸ KLKB1 P03952 1/20 0.51
▸ KEAP1 Q14145 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
SCHEMBL19232193 0.93 CACNA1B (0.56) CACNA1BPLAUCTSGSSTR1SSTR2
SCHEMBL20910241 0.90 CACNA1B (0.60) CACNA1BPLAUCTSGKDM4AITGB3
SCHEMBL19232225 0.84 CACNA1B (0.68) CACNA1BPLAUCTSGKDM4ANNMT
SCHEMBL25455154 0.83 CACNA1B (0.61) CACNA1BPLAUCTSGKDM4AITGB3
SCHEMBL29386734 0.82 PRKACA (0.61) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL20910081 0.80 CACNA1B (0.69) CACNA1BPLAUCTSGKDM4ANNMT
Ziconotide SCHEMBL676878 0.79 CACNA1B (1.00) CACNA1BPLAUCTSGKDM4AITGB3
Ziconotide SCHEMBL29369952 0.79 CACNA1B (1.00) CACNA1BPLAUCTSGKDM4AITGB3
Cyclorgdfv SCHEMBL25474158 0.79 ITGB3 (0.58) CTSGKDM4AITGB3ITGB1ITGAV
Cyclorgdfv SCHEMBL29973120 0.79 ITGB3 (0.58) CTSGKDM4AITGB3ITGB1ITGAV

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-2017136581-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATE MEDITOPE BIOSCIENCES, INC. (US) 2017-08-10 — — WO disclosed