SCHEMBL31352185

SCHEMBL31352185

COc1c(C(=O)O)cnn1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.33
NR4A3 Q92570 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
HCAR3 P49019 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33

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
SCHEMBL31352268 0.81 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL574333 0.77 KDM4E (0.44) KDM4EALDH1A1TDP1POLBKMT2A
SCHEMBL8307379 0.77 HSD11B1 (0.45) KDM4EALDH1A1TDP1POLBLMNA
SCHEMBL1406916 0.76 NR4A3 (0.40) KDM4EALDH1A1TDP1POLBKMT2A
Hydrochloric Acid SCHEMBL17995121 0.75 KDM4E (0.42) KDM4EALDH1A1TDP1POLBKMT2A
SCHEMBL15750714 0.75 KDM4E (0.37) KDM4EALDH1A1TDP1POLBKMT2A
Hydrochloric Acid SCHEMBL29002501 0.75 HSD11B1 (0.44) KDM4EALDH1A1TDP1POLBLMNA
SCHEMBL1406800 0.75 ALKBH1 (0.37) KDM4EALDH1A1TDP1POLBMEN1
SCHEMBL27646011 0.75 KDM4E (0.40) KDM4EALDH1A1TDP1POLBMEN1
SCHEMBL15750693 0.74 ALDH1A1 (0.54) KDM4EALDH1A1POLBMEN1KMT2A

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-2025002177-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 长春金赛药业有限责任公司 2025-01-02 WO disclosed