SCHEMBL28539638

SCHEMBL28539638

Cc1ccccc1C(=O)c1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 3/20 0.44
PKM P14618 1/20 0.44
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL147433 0.84 ALDH1A1 (0.49) ALDH1A1HTTRAB9ANPC1POLB
SCHEMBL8549974 0.84 POLB (0.58) ALDH1A1HTTRAB9ANPC1POLB
SCHEMBL30692364 0.83 ALDH1A1 (0.49) ALDH1A1HTTRAB9ANPC1POLB
SCHEMBL28668452 0.83 ALDH1A1 (0.49) ALDH1A1HTTRAB9ANPC1POLB
SCHEMBL28627186 0.83 TDP1 (0.62) SLC7A5ALDH1A1SMN1; SMN2HPGDATM
SCHEMBL277280 0.82 ADRB2 (0.48) RAB9ANPC1HPGDMEN1ESR1
SCHEMBL110296 0.82 SLC7A5 (0.58) SLC7A5ALDH1A1ATMTDP1L3MBTL1
Water SCHEMBL28897664 0.81 SLC7A5 (0.56) SLC7A5ALDH1A1ATMTDP1L3MBTL1
SCHEMBL28350987 0.81 SLC7A5 (0.56) SLC7A5ALDH1A1ATMTDP1L3MBTL1
Hydrogen Peroxide SCHEMBL27146001 0.81 SLC7A5 (0.60) SLC7A5ALDH1A1RAB9AATMTDP1

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-112442272-A Maleimide resin film and composition for maleimide resin film 信越化学工业株式会社 2021-03-05 CN disclosed