SCHEMBL27320149

SCHEMBL27320149

CC(=O)NCCN1C(=O)C(C)CC1O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.34
MTNR1B P49286 2/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL22688335 0.79 PAOX (0.33) ALDH1A1
SCHEMBL20375297 0.79 TLR4 (0.32) ALDH1A1
SCHEMBL20845391 0.78 HCRTR1 (0.30)
SCHEMBL18747155 0.73 MAPT (0.34) ALDH1A1
SCHEMBL27320429 0.72 ALDH1A1 (0.33) KDM4ETP53ALDH1A1
SCHEMBL21728703 0.72 L3MBTL1 (0.36)
SCHEMBL22456059 0.72 CNR1 (0.34) MTNR1AMTNR1BKDM4ETP53
SCHEMBL20051792 0.72 CAPN1 (0.32)
SCHEMBL27316261 0.72 ALDH1A1 (0.34) MAPK1KDM4ETSHRALDH1A1
SCHEMBL27309028 0.72 ALDH1A1 (0.34) MAPK1KDM4ETSHRALDH1A1

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-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed