Benzene

Benzene

SCHEMBL8965117

CC(=O)OC(C#N)c1ccco1.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 5/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN7 P35236 1/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
AGTR1 P30556 1/20 0.37
CTSL P07711 1/20 0.36
CYP2C19 P33261 2/20 0.36
USP2 O75604 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL7187367 0.98 KMT2A (0.42) L3MBTL1SMN1; SMN2KMT2APOLBPKM
SCHEMBL8965109 0.78 TSHR (0.49) L3MBTL1SMN1; SMN2KMT2APOLBPKM
SCHEMBL7699172 0.76 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2835326 0.76 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL27918598 0.75 KMT2A (0.49) L3MBTL1KMT2APOLBPKMPTPN1
SCHEMBL15142435 0.73 KMT2A (0.50) L3MBTL1KMT2APOLBPKMPTPN1
SCHEMBL6129965 0.73 KMT2A (0.46) L3MBTL1KMT2APOLBPKMPTPN1
SCHEMBL10762043 0.73 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2KMT2APOLBPKM
SCHEMBL7697891 0.71 ALOX5 (0.43) L3MBTL1KMT2APTPN1MEN1ALDH1A1
SCHEMBL1969808 0.70 KMT2A (0.44) L3MBTL1KMT2APOLBPKMPTPN1

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-5493047-A REACTING OPTICALLY ACTIVE CYANOHYDRIN WITH CARBOXYLIC ACID IN PRESENCE OF DIALKYL AZODICARBOXYLATE AND TRIPHENYLPHOSPHINE TO FORM ESTER OF OPPOSITE CONFIGURATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1996-02-20 US disclosed
EP-0601632-A1 Method of preparing optically active cyanohydrin derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1994-06-15 EP disclosed