SCHEMBL28910883

SCHEMBL28910883

CC(C)(C)CC1(C(=O)O)CCC2OC2C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL741407 0.81 MAPK1 (0.37) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL741406 0.81 MAPK1 (0.37) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL1860545 0.81 MAPK1 (0.37) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL175503 0.81 MAPK1 (0.35) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL16005 0.81 MAPK1 (0.35) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL4454017 0.80 CCR2 (0.36)
SCHEMBL1473744 0.76 MAPK1 (0.37) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL28167123 0.76 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL11870982 0.75 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL29784882 0.74 MAPK1 (0.31) MAPK1TP53NFKB1CYP2C19THPO

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-111918906-A Polycarbonate resin composition pellet, method for producing pellet, and molded article thereof 三菱工程塑料株式会社 2020-11-10 CN disclosed