Benzene

Benzene

SCHEMBL5290987

CCC(C)c1ccccc1.c1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.61
TRPA1 O75762 4/20 0.57
LMNA P02545 1/20 0.54
AOC3 Q16853 2/20 0.54
RIPK1 Q13546 1/20 0.52
TSHR P16473 2/20 0.50
SLC7A5 Q01650 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL17453236 1.00 TAAR1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL136376 1.00 TAAR1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL4443642 1.00 TAAR1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL31498533 0.97 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1
Hydrogen Peroxide SCHEMBL190109 0.97 TRPA1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
Hydrogen Peroxide SCHEMBL27735407 0.97 TRPA1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
Ammonia Solution, Strong SCHEMBL6014467 0.97 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1
Hydrogen Peroxide SCHEMBL11692595 0.97 TRPA1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
Methane SCHEMBL28848997 0.97 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL27361065 0.97 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1

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-101679882-A Improved process for the preparation of alkylaromatic compounds EXXONMOBIL CHEM PATENTS INC 2010-03-24 CN disclosed
WO-2007016504-A2 METHOD AND SYSTEM FOR EFFICIENTLY DISPOSING OF DEAD ANIMAL PARTS AND FOR CONVERTING ANIMAL PARTS AND BIOMASS TO FUELS GOKEL RECON, LLC. (US) 2007-02-08 WO disclosed