Benzene

Benzene

SCHEMBL6889012

OO.OO.c1ccccc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
TP53 P04637 1/20 0.75
TDP1 Q9NUW8 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GLA P06280 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 1/20 0.30
NAPRT Q6XQN6 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
Benzene SCHEMBL190779 1.00
Benzene SCHEMBL10780001 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT
Benzene SCHEMBL8430159 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT
SCHEMBL1086976 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT
Benzene SCHEMBL8576855 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT
SCHEMBL1112772 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT
Benzene SCHEMBL1330958 0.87
Benzene SCHEMBL8107103 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT
Benzene SCHEMBL8021516 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT
Benzene SCHEMBL8022649 0.87 TSHR (1.00) TSHRTP53TDP1ALDH1A1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040071594-A1 Oral self-assessment device UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-04-15 US disclosed
US-4229596-A BY REARRANGEMENT AND DECOMPOSITION OF A DIALKYLBENZENE HYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-10-21 US disclosed
US-3968171-A Process for the continuous isolation of dihydric phenols THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-07-06 US disclosed