SCHEMBL2836764

SCHEMBL2836764

c1cc(-c2ccc(OCCCC3CO3)cc2)ccc1OCCCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 7/20 0.43
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 2/20 0.42
PPARG P37231 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 2/20 0.42
LSS P48449 1/20 0.40
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2719716 1.00 TDP1 (0.44) TDP1HRH3TP53TSHRALDH1A1
SCHEMBL2833284 0.94 HRH3 (0.44) TDP1HRH3TP53TSHRALDH1A1
SCHEMBL2718081 0.94 HRH3 (0.44) TDP1HRH3TP53TSHRALDH1A1
SCHEMBL2718715 0.93 HRH3 (0.42) TDP1HRH3TP53TSHRALDH1A1
SCHEMBL2720688 0.93 HRH3 (0.42) TDP1HRH3TP53TSHRALDH1A1
SCHEMBL2720901 0.93 HRH3 (0.42) TDP1HRH3TP53TSHRALDH1A1
SCHEMBL2831235 0.90 TDP1 (0.46) TDP1HRH3TP53TSHRALDH1A1
SCHEMBL13932712 0.89 HRH3 (0.54) HRH3MEN1KMT2AHRH1
SCHEMBL27670580 0.87 NR5A1 (0.47) TDP1HRH3
SCHEMBL5686926 0.85 HRH3 (0.43) HRH3MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563693-B Liquid crystal epoxy resin-mesoporous silica composite material, preparation method and application 中科院广州化学有限公司 2024-03-29 CN disclosed
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed