SCHEMBL31292063

SCHEMBL31292063

CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)NC(CCC(=O)NCCN1C(=O)CC(SC[C@H](N)C(=O)O)C1=O)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.42
▸ FOLH1 Q04609 10/20 0.36
▸ KIF11 P52732 2/20 0.35
▸ TLR7 Q9NYK1 1/20 0.32
▸ OPRL1 P41146 3/20 0.31
▸ OPRK1 P41145 1/20 0.30

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
SCHEMBL24409979 1.00 TUBB1 (0.42) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24114983 1.00 TUBB1 (0.42) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24409978 1.00 TUBB1 (0.42) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24409948 1.00 TUBB1 (0.42) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24409918 0.99 TUBB1 (0.41) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24410253 0.99 TUBB1 (0.41) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24409917 0.99 TUBB1 (0.41) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24410251 0.97 TUBB1 (0.40) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24409965 0.97 TUBB1 (0.41) TUBB1FOLH1KIF11TLR7OPRL1
SCHEMBL24409966 0.97 TUBB1 (0.41) TUBB1FOLH1KIF11TLR7OPRL1

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
CN-113412271-B Having cysteine residues Hamiltelin derivatives of (C) 住友制药株式会社 2024-10-22 — — CN disclosed
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