SCHEMBL31477299

SCHEMBL31477299

COC(=O)[C@@H](O)[C@H](NC(C)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
TACR1 P25103 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39

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
SCHEMBL13380255 0.88 KMT2A (0.55) KMT2ACYP2C19CYP3A4TSHRMEN1
SCHEMBL28573250 0.86 HTT (0.44) KMT2ACYP2C19CYP3A4CYP1A2HSD17B10
SCHEMBL28573252 0.86 HTT (0.44) KMT2ACYP2C19CYP3A4CYP1A2HSD17B10
SCHEMBL1140664 0.84 KMT2A (0.47) KMT2ACYP2C19CYP3A4CYP1A2HSD17B10
SCHEMBL8070685 0.84 SRC (0.47) CYP2C19CYP1A2HSD17B10LMNAALDH1A1
SCHEMBL7139715 0.84 SRC (0.47) CYP2C19CYP1A2HSD17B10LMNAALDH1A1
SCHEMBL330450 0.84 LMNA (0.59) KMT2ACYP2C19CYP3A4CYP1A2TSHR
SCHEMBL28736218 0.84 LMNA (0.59) KMT2ACYP2C19CYP3A4CYP1A2TSHR
SCHEMBL6356699 0.84 LMNA (0.59) KMT2ACYP2C19CYP3A4CYP1A2TSHR
SCHEMBL1071825 0.84 LMNA (0.59) KMT2ACYP2C19CYP3A4CYP1A2TSHR

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-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed