Benzene

Benzene

SCHEMBL3176015

CCOC(=O)C(C)O.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MMP8 P22894 2/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40

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 SCHEMBL5367632 0.95 ALDH1A1 (0.48) PIN1MEN1NPC1KMT2AALDH1A1
Bicarbonate SCHEMBL28391088 0.92 ALDH1A1 (0.46) PIN1MEN1NPC1KMT2AALDH1A1
SCHEMBL29615225 0.92
SCHEMBL471892 0.92 ALDH1A1 (0.50) PIN1MEN1NPC1KMT2AALDH1A1
SCHEMBL22598 0.92
SCHEMBL344175 0.92
SCHEMBL284806 0.92
Acetic Acid SCHEMBL1660055 0.90 ALDH1A1 (0.48) PIN1MEN1NPC1KMT2AALDH1A1
Lactic Acid SCHEMBL370698 0.90 TP53 (0.55) PIN1MEN1NPC1KMT2AALDH1A1
Acetic Acid SCHEMBL4138880 0.90 ALDH1A1 (0.48) PIN1MEN1NPC1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291225-A1 Stabilized Sustained Release Composition of Bupropion Hydrochloride and Process For Preparing the Same JUBILANT ORGANOSYS LTD. (IN) 2010-11-18 US disclosed
EP-2229053-A2 STABILIZED SUSTAINED RELEASE COMPOSITION OF BUPROPION HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME Jubilant Organosys Limited (IN) 2010-09-22 EP disclosed
US-20100008987-A1 Modified Release Pharmaceutical Composition of Bupropion Hydrochloride JUBILANT ORGANOSYS LTD. (IN) 2010-01-14 US disclosed
WO-2009090670-A2 STABILIZED SUSTAINED RELEASE COMPOSITION OF BUPROPION HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME JUBILANT ORGANOSYS LIMITED (IN) 2009-07-23 WO disclosed
WO-2008023390-A2 MODIFIED RELEASE PHARMACEUTICAL COMPOSITION OF BUPROPION HYDROCHLORIDE JUBILANT ORGANOSYS LIMITED (IN) 2008-02-28 WO disclosed