SCHEMBL9733790

SCHEMBL9733790

C=CC[C@]1(C(=O)O)CCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL9735306 0.95 MEN1 (0.32) CD274MEN1ALDH1A1POLBKMT2A
SCHEMBL11500645 0.95 MEN1 (0.32) CD274MEN1ALDH1A1POLBKMT2A
SCHEMBL9735303 0.95 MEN1 (0.32) CD274MEN1ALDH1A1POLBKMT2A
SCHEMBL26832986 0.87
SCHEMBL17024347 0.87
SCHEMBL5337636 0.84
SCHEMBL1503226 0.84 CD274 (0.32) CD274NPC1RAB9A
SCHEMBL1503225 0.84 CD274 (0.32) CD274NPC1RAB9A
SCHEMBL28492715 0.83 CD274 (0.35) CD274NPC1RAB9A
SCHEMBL28492716 0.83 CD274 (0.35) CD274NPC1RAB9A

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-5166136-A SPIROLACTAM CONTAINING PEPTIDES GLAXO GROUP LIMITED (GB) 1992-11-24 US disclosed
EP-0360390-A1 Spirolactam derivatives GLAXO GROUP LIMITED (GB) 1990-03-28 EP disclosed