SCHEMBL28570515

SCHEMBL28570515

CCOC(=O)CCCCCCC(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
DGKA P23743 1/20 0.40
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.38
USP2 O75604 1/20 0.38
CTSK P43235 1/20 0.37
ATM Q13315 1/20 0.37
PAM P19021 2/20 0.37
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL30741422 0.88 KMT2A (0.40) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL11512164 0.86 CYP1A2 (0.44) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL547873 0.86 CYP1A2 (0.44) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL494972 0.85 KMT2A (0.53) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL496560 0.85 KMT2A (0.53) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL494426 0.85 KMT2A (0.53) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL494384 0.85 KMT2A (0.53) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL495527 0.85 KMT2A (0.53) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL493797 0.85 KMT2A (0.53) KMT2ACYP1A2GAAMAPTALDH1A1
SCHEMBL495305 0.85 KMT2A (0.53) KMT2ACYP1A2GAAMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
CN-117177744-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2023-12-05 CN disclosed
CN-112867712-A Carboxamides as ubiquitin-specific protease inhibitors 瓦洛早期发现股份有限公司 2021-05-28 CN disclosed