Benzene

Benzene

SCHEMBL9052791

CCCCc1ccccc1O.c1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.58
TYR P14679 2/20 0.57
BID P55957 3/20 0.54
MCL1 Q07820 3/20 0.54
BCL2L1 Q07817 2/20 0.54
BAK1 Q16611 2/20 0.54
KAT8 Q9H7Z6 2/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
EP300 Q09472 1/20 0.54
KAT2A Q92830 1/20 0.54
KAT2B Q92831 1/20 0.54
KAT5 Q92993 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
MPO P05164 2/20 0.53
SLC6A4 P31645 1/20 0.53
TSHR P16473 2/20 0.53
LIPG Q9Y5X9 1/20 0.50
HSPA5 P11021 1/20 0.50

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
SCHEMBL20232 0.98 HTR1A (0.60) HTR1ATYRBIDMCL1BCL2L1
SCHEMBL9319489 0.98 HTR1A (0.60) HTR1ATYRBIDMCL1BCL2L1
SCHEMBL29450060 0.98 HTR1A (0.60) HTR1ATYRBIDMCL1BCL2L1
Water SCHEMBL27929080 0.96 HTR1A (0.58) HTR1ATYRBIDMCL1BCL2L1
SCHEMBL10824620 0.96 HTR1A (0.58) HTR1ATYRBIDMCL1BCL2L1
Butane SCHEMBL11811023 0.96 HTR1A (0.58) HTR1ATYRBIDMCL1BCL2L1
SCHEMBL29365902 0.96 HTR1A (0.58) HTR1ATYRBIDMCL1BCL2L1
SCHEMBL27587364 0.96 HTR1A (0.58) HTR1ATYRBIDMCL1BCL2L1
Hydrogen Sulfide SCHEMBL10824618 0.96 HTR1A (0.58) HTR1ATYRBIDMCL1BCL2L1
SCHEMBL27541140 0.96 HTR1A (0.58) HTR1ATYRBIDMCL1BCL2L1

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
WO-1996037535-A1 METHOD OF PREPARING POLY(PHENYLENE OXIDES) IN CARBON DIOXIDE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-28 WO claimed
WO-1996037535-A1 METHOD OF PREPARING POLY(PHENYLENE OXIDES) IN CARBON DIOXIDE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-28 WO disclosed