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Sugi Predict / Compounds / SCHEMBL16103698

SCHEMBL16103698

SCHEMBL16103698

CCCC[C@H](NC(=O)C(Cc1ccc(OP(=O)(O)O)cc1)NC(C)=O)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)C(C)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 14/20 0.60
▸ KISS1R Q969F8 1/20 0.46
▸ SRC P12931 1/20 0.44
▸ SYK P43405 4/20 0.44

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
SCHEMBL22525771 0.82 STAT3 (0.75) STAT3
SCHEMBL26221717 0.82 STAT3 (0.75) STAT3
SCHEMBL26222062 0.82 STAT3 (0.75) STAT3
SCHEMBL26221691 0.79 STAT3 (0.63) STAT3SYK
SCHEMBL13151572 0.75 KEAP1 (0.36) STAT3KISS1R
SCHEMBL30657492 0.68 STAT3 (0.55) STAT3
SCHEMBL8441486 0.67 KDM1A (0.54) KISS1R
SCHEMBL30838411 0.67 OPRM1 (0.56) STAT3
SCHEMBL29498247 0.66 STAT3 (0.53) STAT3KISS1R
Phenylalanine Amide SCHEMBL28515941 0.66 SLC6A2 (0.59) —

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
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 — — US disclosed
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