Benzene

Benzene

SCHEMBL4123604

CC(=O)OC1(c2ccccc2C(=O)ON2C(C)(C)CCCC2(C)C)CC(C)(C)NC(C)(C)C1.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRB2 P07550 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOTUM Q6P988 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
SCHEMBL6544243 0.76 TSHR (0.44) KMT2ATSHRMEN1GAASCN1A
SCHEMBL28229700 0.71 LMNA (0.49) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL28704692 0.71 HTT (0.46) KMT2ATSHRMEN1MAPK1GAA
SCHEMBL4625144 0.69 KMT2A (0.61) KMT2ATSHRMEN1MAPK1GAA
SCHEMBL5694381 0.65 ALDH1A1 (0.44) KMT2ATSHRMEN1SCN1ASCN2A
SCHEMBL6544700 0.65 GAA (0.54) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL10717862 0.64 GAA (0.43) KMT2ATSHRMEN1MAPK1GAA
SCHEMBL6544633 0.63 KMT2A (0.49) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL27403915 0.63 TSHR (0.49) KMT2ATSHRMEN1GAASMN1; SMN2
SCHEMBL986872 0.62 TSHR (0.41) KMT2ATSHRMEN1GAASMN1; SMN2

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-20090048385-A1 MASTERBATCH AND COMPOSITION CONTAINING THE SAME ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-02-19 US disclosed
EP-1935942-A1 MASTER BATCH AND COMPOSITION CONTAINING THE SAME Asahi Kasei Chemicals Corporation (JP) 2008-06-25 EP disclosed