SCHEMBL21775773

SCHEMBL21775773

COc1ccc(Oc2c(C)cc(C(c3ccc(C)cc3)c3cc(C)c(Oc4ccc(OC)cc4)c(C)c3)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
SLC2A1 P11166 1/20 0.45
RELA Q04206 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
CYP19A1 P11511 1/20 0.40
NPBWR1 P48145 6/20 0.39
MCHR1 Q99705 4/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL23627427 0.88 SLC2A1 (0.42) ACHESLC2A1ALDH1A1MAPTCYP19A1
SCHEMBL21775835 0.86 ACHE (0.41) ACHEMAPTNPBWR1LMNASMN1; SMN2
SCHEMBL6347435 0.82 ACHE (0.71) ACHESLC2A1RELAALDH1A1MAPT
SCHEMBL13317344 0.82 ACHE (0.71) ACHESLC2A1RELAALDH1A1MAPT
SCHEMBL16865571 0.82 ACHE (0.71) ACHESLC2A1RELAALDH1A1MAPT
SCHEMBL13523901 0.76 SLC2A1 (0.50) ACHESLC2A1RELAALDH1A1MAPT
SCHEMBL16203305 0.75 ACHE (0.60) ACHESLC2A1RELAALDH1A1MAPT
SCHEMBL11588965 0.74 TEAD4 (0.48) ACHEALDH1A1MAPTNPBWR1CYP3A4
SCHEMBL41022 0.74 SLC2A1 (0.71) ACHESLC2A1ALDH1A1MAPTPKM
SCHEMBL16859725 0.74 SLC2A1 (0.71) ACHESLC2A1ALDH1A1MAPTPKM

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