SCHEMBL21437037

SCHEMBL21437037

C#CCOCCOc1cc(C)ccc1S(=O)(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 7/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 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
SCHEMBL28932740 0.89 KMT2A (0.36) MAPK1L3MBTL1MEN1POLBKMT2A
SCHEMBL21219198 0.87 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL28541140 0.86 ALDH1A1 (0.43) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL29172775 0.84 KDM4E (0.38) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL3889830 0.84 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL22973084 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL21751770 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL28559501 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL28631026 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL28351010 0.82 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 CN disclosed
EP-3774789-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed
WO-2019195201-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed