SCHEMBL28830827

SCHEMBL28830827

O=CCCC(=O)OCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
APP P05067 2/20 0.56
HCAR2 Q8TDS4 1/20 0.53
ALOX5 P09917 2/20 0.52
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
FFAR1 O14842 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL22832718 0.86 TDP1 (0.81) TDP1APPHCAR2ALOX5AKR1B10
SCHEMBL7955139 0.85 TDP1 (0.64) TDP1APPHCAR2ALOX5AKR1B10
SCHEMBL1719207 0.84 TDP1 (0.72) TDP1APPHCAR2ALOX5AKR1B10
SCHEMBL9367557 0.84 TDP1 (0.92) TDP1APPHCAR2ALOX5AKR1B10
SCHEMBL28040152 0.83 TDP1 (0.59) TDP1APPHCAR2ALOX5AKR1B10
SCHEMBL2587934 0.83 ALDH1A1 (0.59) TDP1HCAR2AKR1B10AKR1B1L3MBTL1
SCHEMBL7290583 0.82 TDP1 (0.75) TDP1APPHCAR2ALOX5AKR1B10
Ammonia Solution, Strong SCHEMBL11481573 0.82 TDP1 (0.89) TDP1APPHCAR2ALOX5AKR1B10
SCHEMBL1054351 0.82 TDP1 (0.75) TDP1APPHCAR2ALOX5AKR1B10
SCHEMBL17603621 0.81 TDP1 (0.72) TDP1APPHCAR2ALOX5AKR1B10

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-114956590-A Anti-ultraviolet heat-insulating glass and preparation method thereof 顾晓明 2022-08-30 CN disclosed