SCHEMBL28291853

SCHEMBL28291853

CCC(C)c1ccc(OB(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C9 P11712 1/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC7A5 Q01650 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1371292 0.79 RAB9A (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL29040538 0.78 RAB9A (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
Hydrogen Peroxide SCHEMBL11434421 0.76 ALDH1A1 (0.59) ALDH1A1TSHRGAAMAPTNPC1
SCHEMBL598140 0.76 ALDH1A1 (0.52) ALDH1A1TSHRGAAMAPTNPC1
SCHEMBL690069 0.75 ALDH1A1 (0.67) ALDH1A1TSHRGAAMAPTTDP1
SCHEMBL10172019 0.75 ALDH1A1 (0.67) ALDH1A1TSHRGAAMAPTTDP1
SCHEMBL10172018 0.75 ALDH1A1 (0.67) ALDH1A1TSHRGAAMAPTTDP1
SCHEMBL10203858 0.74 ALDH1A1 (0.54) ALDH1A1TSHRGAAMAPTMEN1
SCHEMBL17679434 0.74 ALDH1A1 (0.54) ALDH1A1TSHRGAAMAPTMEN1
SCHEMBL27957983 0.74 CYP11B1 (0.36) ALDH1A1TSHRMAPTMEN1KMT2A

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-105153235-B Phosphor material 通用显示公司 2019-05-10 CN disclosed