SCHEMBL28824741

SCHEMBL28824741

CC(C)(C)C(=O)ON1CCC(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.48
CYP3A4 P08684 1/20 0.46
CCR3 P51677 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL16114136 0.83 BMP1 (0.53) MCHR1
SCHEMBL28045840 0.79 OPRM1 (0.47)
SCHEMBL27782129 0.79 ACHE (0.47) MCHR1
SCHEMBL28010202 0.78 MEN1 (0.44) CCR3KMT2AALDH1A1GAA
SCHEMBL27791259 0.78 CCR3 (0.45) MCHR1CCR3KMT2AALDH1A1
SCHEMBL27819618 0.78 SLC6A4 (0.38) CCR3KMT2AALDH1A1
SCHEMBL28087020 0.77 CCR3 (0.49) CCR3
SCHEMBL28045799 0.77 ECE2 (0.43) MCHR1CCR3ALDH1A1
SCHEMBL28045809 0.76 SLC2A1 (0.49) CCR3ALDH1A1
SCHEMBL28198372 0.75 CCR3 (0.43) CCR3KMT2AALDH1A1

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
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed