Benzene

Benzene

SCHEMBL28028638

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PIN1 Q13526 2/20 0.38

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
SCHEMBL210277 0.95
Hydrochloric Acid SCHEMBL11378520 0.92
SCHEMBL10671640 0.92 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHSD17B10TSHR
Ammonia Solution, Strong SCHEMBL29064051 0.92
Acetic Acid SCHEMBL28338371 0.90 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHSD17B10TSHR
SCHEMBL10669407 0.90 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHSD17B10TSHR
Propionic Acid SCHEMBL28313333 0.88 FFAR3 (0.48) ALDH1A1MAPTLMNAHSD17B10TSHR
SCHEMBL10669814 0.88 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHSD17B10TSHR
Methacrylic Acid SCHEMBL28219636 0.88 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHSD17B10TSHR
Biphenyl SCHEMBL29145677 0.88 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111154028-A High-refractive-index corneal contact lens material and application thereof 东南大学 2020-05-15 CN disclosed
CN-105105869-A Method for forming and modifying crystalline lens AAREN SCIENTIFIC INC 2015-12-02 CN disclosed
CN-105105918-A System for forming and modifying crystalline lens and crystalline lens formed by the same AAREN SCIENTIFIC INC 2015-12-02 CN disclosed
CN-102438549-B System for forming and modifying lenses and lenses formed thereby AAREN SCIENTIFIC INC 2015-07-15 CN disclosed