Benzene

Benzene

SCHEMBL28233020

Oc1ccc2ccccc2c1O.c1ccccc1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 1/20 0.95
▸ POLB P06746 1/20 0.58
▸ LDHA P00338 1/20 0.57
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ PAK1 Q13153 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ ERN1 O75460 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ HPGD P15428 1/20 0.52

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
Hydrochloric Acid SCHEMBL28347175 0.97 PTPN22 (1.00) PTPN22POLBLDHAHSD17B10CYP1A2
SCHEMBL28483 0.97 PTPN22 (1.00) PTPN22POLBLDHAHSD17B10CYP1A2
SCHEMBL29613822 0.97 PTPN22 (1.00) PTPN22POLBLDHAHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL27843667 0.97 PTPN22 (1.00) PTPN22POLBLDHAHSD17B10CYP1A2
SCHEMBL30661812 0.95 PTPN22 (0.95) PTPN22POLBLDHAHSD17B10CYP1A2
Naphthalene SCHEMBL4847677 0.95 PTPN22 (0.95) PTPN22POLBLDHAHSD17B10CYP1A2
Charcoal, Activated SCHEMBL2574660 0.95 PTPN22 (0.95) PTPN22POLBLDHAHSD17B10CYP1A2
SCHEMBL30871542 0.95 PTPN22 (0.95) PTPN22POLBLDHAHSD17B10CYP1A2
SCHEMBL4068022 0.95 PTPN22 (0.95) PTPN22POLBLDHAHSD17B10CYP1A2
Water SCHEMBL10892200 0.95 PTPN22 (0.95) PTPN22POLBLDHAHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104513359-B Composition epoxy resin and its solidfied material 新日铁住金化学株式会社 2018-08-10 — — CN disclosed
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