SCHEMBL21775769

SCHEMBL21775769

Cc1ccc(C(c2cc(C)c(O)c(C)c2)c2cc(C)c(OC(=O)OC(C)(C)C)c(C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.32
G6PD P11413 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.31
KDM1A O60341 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
SCHEMBL21774692 0.95 ELANE (0.39) ELANEALDH1A1MAPTPPARGPPARD
SCHEMBL8015384 0.91 ELANE (0.41) ELANEPPARGPPARDPPARAL3MBTL1
SCHEMBL23627432 0.90 ELANE (0.34) ELANE
SCHEMBL23627363 0.84 ELANE (0.37) ELANEL3MBTL1
SCHEMBL21241774 0.77 PTGS1 (0.48) ALDH1A1MAPTMEN1KMT2AALOX5
SCHEMBL17171699 0.75 ELANE (0.44) ELANEALDH1A1MAPTL3MBTL1CA2
SCHEMBL21775757 0.75 CNR1 (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14478025 0.75 ELANE (0.32) ELANE
SCHEMBL21775908 0.74 TTR (0.33) ELANE
SCHEMBL9173831 0.74 ELANE (0.38) ELANEPPARGPPARDPPARAL3MBTL1

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-2020040161-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed