Benzene

Benzene

SCHEMBL28295763

COC(=O)C(=C(C1CCCCCCCCC1)C1CCCCCCCCC1)C1CCCCCCCCC1.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
P2RX7 Q99572 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL27232994 0.94 CES2 (0.41) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL28323465 0.87 SMN1; SMN2 (0.37) SMN1; SMN2CES2CES1HDAC8HDAC6
Methacrylic Acid SCHEMBL28297462 0.86 ALDH1A1 (0.39) SMN1; SMN2CES2CES1HDAC8HDAC6
Acrylic Acid SCHEMBL28089824 0.86 SMN1; SMN2 (0.34) SMN1; SMN2CES2CES1HDAC8HDAC6
Styrene SCHEMBL28273892 0.84 SMN1; SMN2 (0.39) SMN1; SMN2HPGDKDM4EALDH1A1NPSR1
SCHEMBL10009844 0.84 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009607 0.84 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009603 0.84 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009837 0.84 CES2 (0.46) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL10009480 0.82 CES2 (0.42) SMN1; SMN2HPGDCES2CES1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102866584-B Photosensitive polymer combination 住友化学株式会社 2019-05-28 CN disclosed