SCHEMBL31463978

SCHEMBL31463978

CCOC(=O)c1cc(C(C)=O)c(C(=O)OCC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.47
HSD17B2 P37059 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DPP4 P27487 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL20060067 0.92 KMT2A (0.56) KMT2AGAAPOLBNPC1ALDH1A1
SCHEMBL2900687 0.89 KMT2A (0.65) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL6788470 0.83 KMT2A (0.57) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL6859316 0.80 KMT2A (0.54) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL346578 0.80 TSHR (0.67) KMT2AGAAPOLBNPC1ALDH1A1
SCHEMBL5240208 0.79 LCK (0.53) KMT2AGAAALDH1A1KDM4EHSD17B2
SCHEMBL1964834 0.78 HTR4 (0.53) KMT2AGAAALDH1A1KDM4EHPGD
SCHEMBL6584127 0.78 HTR4 (0.53) KMT2AGAAALDH1A1HSD17B2TSHR
SCHEMBL27455432 0.78 HSD17B2 (0.59) KMT2AGAAPOLBALDH1A1KDM4E
SCHEMBL20134882 0.78 HSD17B2 (0.68) KMT2AGAAPOLBNPC1ALDH1A1

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-2025070947-A1 NOVEL PHTHALAZINE DERIVATIVE COMPOUND AS SOS1 INHIBITOR, AND USE THEREOF 한미약품 주식회사 2025-04-03 WO disclosed