SCHEMBL24880642

SCHEMBL24880642

CC(C)(C)OC(=O)CN1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
PPARA Q07869 5/20 0.53
PPARD Q03181 2/20 0.53
AKR1C3 P42330 1/20 0.48
PANK3 Q9H999 1/20 0.44
GPR119 Q8TDV5 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
DRD4 P21917 1/20 0.39
RET P07949 1/20 0.39
CXCR3 P49682 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL31140048 1.00 PPARG (0.53) PPARGPPARAPPARDAKR1C3PANK3
SCHEMBL31274469 0.84 PPARG (0.48) PPARGPPARAPPARDAKR1C3PANK3
SCHEMBL31108113 0.84 GPR119 (0.43) PANK3GPR119SMN1; SMN2KDM4EALDH1A1
SCHEMBL31464918 0.82 PANK3 (0.54) PANK3
SCHEMBL30860022 0.82 PANK3 (0.54) PANK3
SCHEMBL594352 0.81 AKR1C3 (0.57) PPARGPPARAPPARDAKR1C3PANK3
SCHEMBL30480343 0.81 AKR1C3 (0.57) PPARGPPARAPPARDAKR1C3PANK3
SCHEMBL13100992 0.81 AKR1C3 (0.51) PPARGPPARAPPARDAKR1C3PANK3
SCHEMBL29990449 0.81 PPARG (0.45) PPARGPPARAPPARDAKR1C3PANK3
SCHEMBL24670864 0.81 PPARG (0.45) PPARGPPARAPPARDAKR1C3PANK3

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-118440054-A Degradation agent, composition and application of cyclin-dependent kinase 12/13 浙江大学 2024-08-06 CN disclosed
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN disclosed
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed
CN-1083475-A Acetogenin GLAXO GROUP LTD (GB) 1994-03-09 CN disclosed