Benzene

Benzene

SCHEMBL19304565

CC(=O)OCCc1ccccc1.c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
HCAR2 Q8TDS4 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
AKR1B10 O60218 2/20 0.54
AKR1B1 P15121 2/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.52

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
SCHEMBL111422 1.00 ALDH1A1 (0.64) ALDH1A1HCAR2TDP1ESR1ESR2
SCHEMBL4351183 1.00 ALDH1A1 (0.64) ALDH1A1HCAR2TDP1ESR1ESR2
Acetic Acid SCHEMBL28067643 0.98 ALDH1A1 (0.62) ALDH1A1HCAR2TDP1ESR1ESR2
Hydrochloric Acid SCHEMBL27545520 0.98 ALDH1A1 (0.62) ALDH1A1HCAR2TDP1ESR1ESR2
SCHEMBL27897041 0.98 ALDH1A1 (0.62) ALDH1A1HCAR2TDP1ESR1ESR2
Acetic Acid SCHEMBL19951529 0.98 ALDH1A1 (0.62) ALDH1A1HCAR2TDP1ESR1ESR2
SCHEMBL28201295 0.98 ALDH1A1 (0.62) ALDH1A1HCAR2TDP1ESR1ESR2
Ethyne SCHEMBL27579020 0.96 ALDH1A1 (0.60) ALDH1A1HCAR2TDP1ESR1ESR2
Alcohol SCHEMBL4648875 0.94 ALDH1A1 (0.58) ALDH1A1HCAR2TDP1ESR1ESR2
Trimethylammonium SCHEMBL9482623 0.94 ALDH1A1 (0.58) ALDH1A1HCAR2TDP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214168-B1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF UNIV JIANGNAN (CN) 2019-08-07 EP claimed
EP-3214168-A1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF Jiangnan University (CN) 2017-09-06 EP claimed
CN-110477338-A A kind of food flavor and preparation method thereof ANHUI JINRONG PERFUME CO LTD 2019-11-22 CN disclosed
CN-110305741-A A kind of oiliness component from thickener composition 广州蓝月亮实业有限公司 2019-10-08 CN disclosed
EP-3214168-B1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF UNIV JIANGNAN (CN) 2019-08-07 EP disclosed
CN-105296370-B One plant for improving saccharomycete and its application of bee honey drink flavor substance content 哈尔滨商业大学 2018-12-21 CN disclosed
CN-108485812-A A kind of daily use chemicals lemon orange essence and its preparation method 广东铭康香精香料有限公司 2018-09-04 CN disclosed
EP-3214168-A1 SACCHAROMYCES CEREVISIAE CAPABLE OF BEING CO-FERMENTED BY MULTIPLE CARBON SOURCES AND APPLICATION THEREOF Jiangnan University (CN) 2017-09-06 EP disclosed