SCHEMBL11420342

SCHEMBL11420342

CC(O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IL23R Q5VWK5 19/20 0.66

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
SCHEMBL11596073 1.00 IL23R (0.66) IL23R
SCHEMBL11490971 1.00 IL23R (0.66) IL23R
SCHEMBL11420357 1.00 IL23R (0.66) IL23R
SCHEMBL11490981 1.00 IL23R (0.66) IL23R
SCHEMBL11596064 1.00 IL23R (0.66) IL23R
SCHEMBL11420700 0.97 IL23R (0.62) IL23R
SCHEMBL11422637 0.97 IL23R (0.62) IL23R
SCHEMBL11422620 0.97 IL23R (0.62) IL23R
SCHEMBL11418049 0.97 IL23R (0.62) IL23R
SCHEMBL11420692 0.97 IL23R (0.62) IL23R

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-4209426-A INHIBIT SECRETION OF GROWTH HORMONE, INSULIN AND GLUCAGON AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 US claimed