SCHEMBL29564334

SCHEMBL29564334

CC(=O)CC(=O)N(C(=O)CC(C)=O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.37
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
ATM Q13315 1/20 0.35
PKM P14618 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL14902207 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AATMPKMSIGMAR1
SCHEMBL15016380 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AATMPKMSIGMAR1
SCHEMBL16210731 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AATMPKMSIGMAR1
SCHEMBL13826873 0.77 ALDH1A1 (0.39) ALDH1A1KMT2AADH1CADH1AATM
SCHEMBL11325407 0.75 TSHR (0.36) ALDH1A1KMT2ANPSR1MEN1
SCHEMBL30876828 0.74 LMNA (0.41) ALDH1A1ADH1CADH1APKMNPSR1
SCHEMBL5069991 0.74 ALDH1A1 (0.35) ALDH1A1KMT2ANPSR1LMNAMEN1
SCHEMBL13014531 0.72 ADH1A (0.41) ALDH1A1ADH1CADH1AATMPKM
SCHEMBL7805428 0.71 ALDH1A1 (0.42) ALDH1A1KMT2AADH1CADH1AATM
SCHEMBL7129642 0.71 ALDH1A1 (0.59) ALDH1A1KMT2AADH1CADH1AATM

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-2022091001-A1 PROCESS FOR PREPARATION OF PALBOCICLIB PFIZER IRELAND PHARMACEUTICALS (IE) 2022-05-05 WO disclosed