SCHEMBL30002544

SCHEMBL30002544

COC(=O)C(C)(N)Cc1ccc(O)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
BLM P54132 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
EGFR P00533 1/20 0.52
FYN P06241 1/20 0.52
GAA P10253 1/20 0.52
APEX1 P27695 1/20 0.52
ADRA1A P35348 1/20 0.52
PTGS2 P35354 1/20 0.52
MTOR P42345 1/20 0.52

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
SCHEMBL1485976 0.87 HSD17B10 (0.69) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL29881847 0.87 HSD17B10 (0.69) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL1485974 0.87 HSD17B10 (0.69) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6348576 0.84 CYP1A2 (0.74) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6718607 0.84 CYP1A2 (0.74) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6348579 0.84 CYP1A2 (0.74) KDM4EALDH1A1CYP1A2POLBCYP3A4
Hydrochloric Acid SCHEMBL11322492 0.79 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2POLBCYP3A4
Hydrochloric Acid SCHEMBL11319938 0.79 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2POLBCYP3A4
Hydrochloric Acid SCHEMBL11322494 0.79 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2POLBCYP3A4
Hydrochloric Acid SCHEMBL11319939 0.79 ALDH1A1 (0.48) KDM4EALDH1A1CYP1A2POLBCYP3A4

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
CN-114901272-A Sustained release preparation 霍夫曼技术有限责任公司 2022-08-12 CN claimed