Benzene

Benzene

SCHEMBL28199385

C=C(C(=O)OC)C1CCCCC1.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
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 0.36
SRD5A2 P31213 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
LMNA P02545 1/20 0.35
P2RX7 Q99572 2/20 0.35

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
SCHEMBL28328782 0.94 CES2 (0.42) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL27749723 0.94 CES2 (0.42) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL27801239 0.94 CES2 (0.42) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL2231567 0.94 CES2 (0.42) SMN1; SMN2CES2CES1HDAC8HDAC6
Acetic Acid SCHEMBL28288702 0.92 ALDH1A1 (0.41) SMN1; SMN2HPGDCES2CES1HDAC8
Hydroxyl Radical SCHEMBL28167821 0.92 CES2 (0.41) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL27969028 0.92 CES2 (0.41) SMN1; SMN2CES2CES1HDAC8HDAC6
SCHEMBL613516 0.92 ALDH1A1 (0.42) SMN1; SMN2HPGDCES2CES1HDAC8
Methacrylic Acid SCHEMBL28100006 0.89 ALDH1A1 (0.43) SMN1; SMN2HPGDCES2CES1HDAC8
SCHEMBL6135392 0.88 ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107739578-A Bonding sheet 日东电工株式会社 2018-02-27 CN disclosed
CN-107722854-A Bonding sheet 日东电工株式会社 2018-02-23 CN disclosed