SCHEMBL9546520

SCHEMBL9546520

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.59
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
CMA1 P23946 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CAPN1 P07384 2/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL9546474 0.85 CCR1 (0.54) CCR1KMT2AMEN1ATMCTSL
SCHEMBL524204 0.83 CCR1 (0.56) CCR1KMT2AMEN1CTSLCTSB
SCHEMBL524203 0.83 CCR1 (0.56) CCR1KMT2AMEN1CTSLCTSB
SCHEMBL1241067 0.83 KDM4E (0.69) KDM4EPKM
SCHEMBL9546589 0.83 CCR1 (0.56) CCR1KMT2AMEN1CTSLCTSB
SCHEMBL9546604 0.83 CCR1 (0.56) CCR1KMT2AMEN1CTSLCTSB
SCHEMBL9546627 0.82 KMT2A (0.44) CCR1KMT2AMEN1ATMCMA1
SCHEMBL9546646 0.82 KMT2A (0.44) CCR1KMT2AMEN1ATMCMA1
SCHEMBL15534865 0.81 CCR1 (0.61) CCR1KMT2AMEN1CTSLCTSB
SCHEMBL17292360 0.81 CCR1 (0.61) CCR1KMT2AMEN1CTSLCTSB

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-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed