SCHEMBL21558817

SCHEMBL21558817

CCC(C)C1NC(=O)CNC(=O)C(C(C)C)NC(=O)C2CC2CCCNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(CS)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 11/20 0.49
▸ HDAC1 Q13547 1/20 0.44
▸ SOAT2 O75908 3/20 0.43
▸ SOAT1 P35610 2/20 0.43

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
SCHEMBL17252023 0.83 TACR1 (0.48) GHSRHDAC1
SCHEMBL31197218 0.80 SOAT2 (0.53) GHSRHDAC1SOAT2SOAT1
SCHEMBL31197219 0.80 SOAT2 (0.53) GHSRHDAC1SOAT2SOAT1
SCHEMBL28975626 0.76 PSMB11 (0.54) GHSR
SCHEMBL30262637 0.76 PSMB11 (0.54) GHSR
SCHEMBL17252024 0.76 TACR1 (0.49) HDAC1
SCHEMBL17252074 0.75 TACR1 (0.51) —
SCHEMBL30912331 0.73 SOAT2 (0.50) GHSRHDAC1SOAT2SOAT1
SCHEMBL31299525 0.71 SOAT2 (0.48) GHSRHDAC1SOAT2SOAT1
Dianthin E SCHEMBL29404462 0.70 ST14 (0.53) HDAC1

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
EP-2867246-B1 IN VITRO PRODUCTION OF CYCLIC PEPTIDES UNIV OXFORD INNOVATION LTD (GB) 2019-11-13 — — EP disclosed
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