Benzene

Benzene

SCHEMBL25317681

CCOP(=O)(C=O)OCC.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.43
AOX1 Q06278 1/20 0.43
POLB P06746 1/20 0.42
NR1I2 O75469 1/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PPARD Q03181 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL1396448 0.92 TSHR (0.50) NPSR1TSHRAOX1TP53TDP1
SCHEMBL5357461 0.90 TSHR (0.48) NPSR1TSHRAOX1POLBTP53
SCHEMBL27939180 0.82 TSHR (0.39) NPSR1TSHRAOX1POLBNR1I2
SCHEMBL7526044 0.75 TSHR (0.56) NPSR1TSHRTP53TDP1ACHE
SCHEMBL5015252 0.73 TSHR (0.53) NPSR1TSHRTP53TDP1ACHE
SCHEMBL4456017 0.72 MEN1 (0.39) TSHRTP53TDP1ALDH1A1MEN1
SCHEMBL28035543 0.72
SCHEMBL11047370 0.72 NR1I2 (0.56) NPSR1TSHRAOX1POLBNR1I2
SCHEMBL6631037 0.70 TSHR (0.50) NPSR1TSHRNR1I2TP53TDP1
Ammonia Solution, Strong SCHEMBL11747055 0.70

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
WO-2023123746-A1 FLEXIBLE PACKAGING AGENT FOR SEMICONDUCTOR ELEMENT AND PREPARATION METHOD THEREFOR, AND THIN FILM PACKAGING METHOD 深圳市首骋新材料科技有限公司 2023-07-06 WO disclosed