Benzene

Benzene

SCHEMBL28074245

NC(=O)c1ccccc1C(=O)O.c1ccccc1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
ALOX15 P16050 1/20 0.74
MAPT P10636 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 3/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 2/20 0.58
BCAT2 O15382 1/20 0.58
AKR1C3 P42330 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
HMGB1 P09429 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA9 Q16790 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
CA14 Q9ULX7 1/20 0.54

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
SCHEMBL8771 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL31390276 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15MAPTKDM4EHSD17B10
Benzene SCHEMBL27461159 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL7477977 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15MAPTKDM4EHSD17B10
Ammonia Solution, Strong SCHEMBL4887275 0.97 ALDH1A1 (0.70) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL28957788 0.97 ALDH1A1 (0.70) ALDH1A1ALOX15MAPTKDM4EHSD17B10
Hydrogen Sulfide SCHEMBL28174624 0.97 ALDH1A1 (0.70) ALDH1A1ALOX15MAPTKDM4EHSD17B10
Ammonia Solution, Strong SCHEMBL4887278 0.97 ALDH1A1 (0.70) ALDH1A1ALOX15MAPTKDM4EHSD17B10
Selenium SCHEMBL29941301 0.97 ALDH1A1 (0.70) ALDH1A1ALOX15MAPTKDM4EHSD17B10
Hydrochloric Acid SCHEMBL28261703 0.97 ALDH1A1 (0.70) ALDH1A1ALOX15MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104961123-B A kind of native graphite ore deposit peels off method of purification 湖南大学 2017-11-17 CN claimed
CN-115852717-A Production process of environment-friendly ecological dark polylactic acid fabric 江苏泰慕士针纺科技股份有限公司 2023-03-28 CN disclosed
CN-105431486-B The train internal part and its manufacturing method discharged with low smog and low-heat 沙特基础全球技术有限公司 2018-08-28 CN disclosed
CN-103597077-B soybean event SYHT0H2 and compositions and methods for detection thereof 先正达参股股份有限公司 2017-11-07 CN disclosed
CN-104206421-B The method of storehouse, jujube tree source passage amplification and special preparation 新疆农垦科学院 2016-08-10 CN disclosed