Benzene

Benzene

SCHEMBL12467314

C=CC(C)(O)CC.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.33

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
SCHEMBL14371227 0.92
SCHEMBL123229 0.92
Alcohol SCHEMBL8917406 0.86 ALOX15 (0.43) ALOX15MEN1CYP3A4KMT2A
Benzene SCHEMBL8002838 0.78 TSHR (0.32)
SCHEMBL6479838 0.75 ALOX15 (0.43) ALOX15MEN1CYP3A4KMT2A
SCHEMBL544797 0.74 TSHR (0.38) ALOX15
SCHEMBL544798 0.74 TSHR (0.38) ALOX15
SCHEMBL27529971 0.71 ALOX15 (0.61) ALOX15MEN1CYP3A4KMT2AMAPT
SCHEMBL12837120 0.70
SCHEMBL7095968 0.70

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
EP-2691088-A1 VIRAL INHIBITOR COMPOSITION FOR IN VIVO THERAPEUTIC USE Cesa Alliance S.A. (LU) 2014-02-05 EP disclosed
WO-2012038553-A1 VIRAL INHIBITOR COMPOSITION FOR IN VIVO THERAPEUTIC USE CESA ALLIANCE S.A. (LU) 2012-03-29 WO disclosed