Benzene

Benzene

SCHEMBL9601031

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

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
KDM4A O75164 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
EPHX2 P34913 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SYK P43405 1/20 0.41
HDAC1 Q13547 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL17906 0.96 MEN1 (0.52) MEN1KMT2AGAATDP1KDM4A
SCHEMBL6603412 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
Ammonia Solution, Strong SCHEMBL28788409 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
Bicarbonate SCHEMBL28028118 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
Hydrochloric Acid SCHEMBL77819 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
SCHEMBL6679504 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
Bicarbonate SCHEMBL28028120 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
SCHEMBL9464092 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
Methane SCHEMBL1486197 0.94 MEN1 (0.50) MEN1KMT2AGAATDP1KDM4A
Cyclopentane SCHEMBL8727534 0.90 EPHX1 (0.49) MEN1KMT2AGAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed