SCHEMBL25525080

SCHEMBL25525080

CC(C)(O)C(C)(C)OBc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 5/20 0.35
▸ CYP11B1 P15538 1/20 0.33
▸ PSMB5 P28074 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ PPARG P37231 3/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL24056977 0.97 CYP11B1 (0.35) GPR84CYP11B1PSMB5MEN1ALDH1A1
SCHEMBL27355507 0.85 PPARG (0.43) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL25907085 0.84 MAPT (0.31) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL24057788 0.84 PPARG (0.43) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL24306455 0.84 CYP11B1 (0.39) GPR84CYP11B1PSMB5MEN1ALDH1A1
SCHEMBL23609711 0.83 KDM4E (0.33) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL14428585 0.83 ALDH1A1 (0.36) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL25525055 0.83 ESR1 (0.37) MEN1ALDH1A1KMT2A
SCHEMBL15811436 0.82 ALDH1A1 (0.30) ALDH1A1MAPTKDM4EHPGDCYP2C9
SCHEMBL27325367 0.82 ALDH1A1 (0.30) ALDH1A1MAPTKDM4EHPGDCYP2C9

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-2023085881-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-05-19 — — WO disclosed
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