Benzene

Benzene

SCHEMBL6447145

CC1=CCCC1.c1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
P2RX7 Q99572 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CNR2 P34972 1/20 0.31
PPARA Q07869 1/20 0.31
TAS2R46 P59540 2/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TERT O14746 1/20 0.30
PKM P14618 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
Hydrogen Peroxide SCHEMBL11552669 0.94
SCHEMBL2809 0.94
SCHEMBL9512785 0.94 PTPN1 (0.39) PTPN1P2RX7MEN1KMT2ACNR2
SCHEMBL79228 0.94
SCHEMBL9512793 0.94 PTPN1 (0.39) PTPN1P2RX7MEN1KMT2ACNR2
SCHEMBL9512789 0.94 PTPN1 (0.39) PTPN1P2RX7MEN1KMT2ACNR2
Hydrogen Sulfide SCHEMBL15656863 0.91
Hydrogen Peroxide SCHEMBL9155269 0.86
SCHEMBL3297566 0.85
SCHEMBL3959 0.85

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
US-6846873-B2 End-modified diene copolymer and rubber composition for tire tread including the same KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2005-01-25 US disclosed
US-20020123554-A1 A vulcanizing polysiloxane coupling agent, carbon black and/or silica filler, and an organic lithium polymerization catalyst KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2002-09-05 US disclosed