SCHEMBL30478441

SCHEMBL30478441

CC(C)(C)CCCCC(C(=O)OO)C(C)(C)c1ccccc1.CC(C)(C)CCCCCC(=O)OC(C)(C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
RIPK1 Q13546 1/20 0.32
PPARG P37231 1/20 0.31
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL38652251 0.90 MAPK1 (0.32) ALDH1A1ALOX15PPARG
SCHEMBL168725 0.88 RIPK1 (0.36) ALDH1A1ALOX15RIPK1CYP2C19HIF1A
SCHEMBL29614441 0.86 PPARG (0.36) ALDH1A1PPARGKDM4EMEN1RECQL
SCHEMBL27931471 0.84 CYP2C19 (0.41) ALDH1A1ALOX15RIPK1CYP2C19HIF1A
SCHEMBL29849003 0.81 PPARG (0.34) PPARG
SCHEMBL786199 0.78 ALDH1A1 (0.45) ALDH1A1PPARGCYP3A4MEN1KMT2A
SCHEMBL14843728 0.77 RIPK1 (0.30) RIPK1
SCHEMBL2707979 0.76 ALDH1A1 (0.43) ALDH1A1CYP3A4KDM4EMEN1RECQL
SCHEMBL9721468 0.75 SCN1A (0.33) CYP2C19CYP3A4CYP2C9KDM4EMEN1
SCHEMBL30367953 0.73 CYP2C19 (0.46) ALDH1A1ALOX15RIPK1CYP2C19HIF1A

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-116515193-A Recyclable cross-linked polymer foam material and application thereof 台湾聚合化学品股份有限公司 2023-08-01 CN disclosed