Ethylbenzene

Ethylbenzene

SCHEMBL8778067

CCc1ccccc1.O=C(Oc1ccccc1C(=O)O)c1ccc(O)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.57
ESR2 Q92731 3/20 0.57
KDM4E B2RXH2 6/20 0.54
HSD17B10 Q99714 5/20 0.54
HPGD P15428 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4846409 0.90 ESR1 (0.69) ESR1ESR2KDM4EHSD17B10HPGD
SCHEMBL11280439 0.83 KDM4E (0.68) ESR1ESR2KDM4EHSD17B10HPGD
SCHEMBL8767093 0.83 ESR1 (0.50) ESR1ESR2KDM4EHSD17B10HPGD
SCHEMBL6565957 0.82 LMNA (0.69) ESR1ESR2HPGDALDH1A1LMNA
SCHEMBL30180333 0.81 ESR1 (0.51) ESR1ESR2KDM4EHSD17B10HPGD
SCHEMBL4901583 0.81 ESR1 (0.51) ESR1ESR2KDM4EHSD17B10HPGD
Hydroquinone SCHEMBL27731497 0.81 LMNA (0.54) ESR1ESR2ALDH1A1LMNATSHR
SCHEMBL11273464 0.80 KDM4E (0.64) ESR1ESR2KDM4EHSD17B10HPGD
SCHEMBL7759509 0.80 ESR1 (0.51) ESR1ESR2KDM4EHSD17B10HPGD
SCHEMBL6564035 0.80 CA12 (0.63) ESR1ESR2KDM4EHSD17B10ALDH1A1

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
EP-0585127-B1 Thermal Recording sheet JUJO PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5405821-A Containing a 4-hydroxyphenylarylsulfone color developer NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-04-11 US disclosed