Benzene

Benzene

SCHEMBL28181561

CCC(C(=O)OC(C)C)C(=O)OC(C)C.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KLK7 P49862 1/20 0.33
ALOX15 P16050 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
SCHEMBL6063173 0.93 TSHR (0.43) TSHRLMNACA12CA1CA2
SCHEMBL452864 0.84 ALDH1A1 (0.39) TSHRMEN1KMT2AMAPTLMNA
Benzene SCHEMBL28144601 0.83 TSHR (0.40) TSHRPDCD1CD274MAPTLMNA
SCHEMBL8602827 0.82 TSHR (0.44) TSHRLMNAHCAR2ALOX15
SCHEMBL11630756 0.80 TSHR (0.37) TSHRLMNAHCAR2ALOX15
SCHEMBL29057718 0.80 TSHR (0.37) TSHRLMNAHCAR2ALOX15
SCHEMBL27813447 0.80 TSHR (0.42) TSHRLMNAHCAR2ALOX15
SCHEMBL28949351 0.77 MAPT (0.35) TSHRMAPTLMNAHCAR2ALOX15
SCHEMBL28889016 0.76 MAPT (0.42) TSHRMAPTLMNACA1CA2
SCHEMBL29455985 0.76 CHRM1 (0.44) TSHRLMNACA2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837714-B The manufacturing method of solid catalyst component for olefin polymerization, the manufacturing method of polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-07-20 CN disclosed
CN-104470953-B Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer 东邦钛株式会社 2017-11-14 CN disclosed