SCHEMBL25155684

SCHEMBL25155684

Cc1ccc(OCC(C)NC(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.43
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
GPR88 Q9GZN0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL30344315 1.00 AAK1 (0.43) AAK1MTNR1AMTNR1BGPR88KDM4E
SCHEMBL31107612 1.00 AAK1 (0.43) AAK1MTNR1AMTNR1BGPR88KDM4E
SCHEMBL25155742 1.00 AAK1 (0.43) AAK1MTNR1AMTNR1BGPR88KDM4E
SCHEMBL25155900 0.89 MTNR1A (0.43) AAK1MTNR1AMTNR1BACACBACACA
SCHEMBL30344057 0.89 MTNR1A (0.43) AAK1MTNR1AMTNR1BACACBACACA
SCHEMBL25156080 0.89 MTNR1A (0.43) AAK1MTNR1AMTNR1BACACBACACA
SCHEMBL30345018 0.89 MTNR1A (0.43) AAK1MTNR1AMTNR1BACACBACACA
SCHEMBL28840896 0.84 L3MBTL1 (0.43) AAK1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL28840894 0.84 L3MBTL1 (0.43) AAK1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5155608 0.81 MTNR1A (0.50) MTNR1AMTNR1BACACBACACA

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-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed