SCHEMBL30872249

SCHEMBL30872249

CC(C)(C)c1ccc(Br)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 2/20 0.39
PKM P14618 2/20 0.39
RECQL P46063 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 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
SCHEMBL9246916 1.00 ALDH1A1 (0.43) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL14726948 0.85 ALDH1A1 (0.43) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL10183548 0.85 MAPT (0.45) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL3199059 0.81 ALDH1A1 (0.36) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL30931254 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL11438490 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL1134714 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29816195 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29608340 0.78 ALDH1A1 (0.47) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL30645676 0.78 PTGDR2 (0.44) ALDH1A1ALOX15HSD17B10TDP1MAPT

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-117986280-A Light-emitting device, electronic apparatus, electronic device, and condensed cyclic compound 三星显示有限公司 2024-05-07 CN disclosed