SCHEMBL26512921

SCHEMBL26512921

CC(C)(C)OC(=O)CCCCCCCCCCC(=O)N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ TLR2 O60603 2/20 0.48
▸ MDM2 Q00987 1/20 0.45
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CASP3 P42574 1/20 0.42
▸ TNF P01375 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ACE P12821 1/20 0.41

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
SCHEMBL17747064 1.00 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL17747076 1.00 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL26513050 1.00 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL17747075 1.00 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL17747066 1.00 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL26512809 0.93 TLR2 (0.56) KMT2ATLR2MDM2MDM4TP53
SCHEMBL26512754 0.93 TLR2 (0.56) KMT2ATLR2MDM2MDM4TP53
SCHEMBL26512797 0.93 TLR2 (0.56) KMT2ATLR2MDM2MDM4TP53
SCHEMBL17747016 0.91 KMT2A (0.55) KMT2ATLR2MDM2MDM4TP53
SCHEMBL30608472 0.91 KMT2A (0.55) KMT2ATLR2MDM2MDM4TP53

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
WO-2023192873-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-05 — — WO disclosed
Send feedback