Ethylbenzene

Ethylbenzene

SCHEMBL28627420

CCC(C)c1cc(C2CCCCC2)ccc1O.CCc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.44
▸ TSHR P16473 1/20 0.42
▸ RORC P51449 1/20 0.40
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRD1 P41143 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ASAH1 Q13510 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ HTR1A P08908 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
SCHEMBL21630423 0.89 ACMSD (0.49) ACMSDTSHRRORCHDAC4HDAC2
SCHEMBL22471698 0.89 ACMSD (0.49) ACMSDTSHRRORCHDAC4HDAC2
SCHEMBL2717931 0.77 ESR2 (0.49) TSHRRORC
SCHEMBL3390002 0.76 ACMSD (0.53) ACMSDHDAC4HDAC2HDAC8KMO
SCHEMBL28627419 0.73 ADRB3 (0.42) TSHRRORCTP53
SCHEMBL29375107 0.73 ACMSD (0.49) ACMSDHDAC4HDAC2HDAC8KMO
SCHEMBL760436 0.73 ACMSD (0.49) ACMSDHDAC4HDAC2HDAC8KMO
SCHEMBL4056040 0.72 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8KMO
SCHEMBL22103975 0.72 MEN1 (0.51) ACMSDHDAC4HDAC2HDAC8KMO
SCHEMBL22103998 0.72 MEN1 (0.51) ACMSDHDAC4HDAC2HDAC8KMO

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-113474410-A Resin composition and molded article 积水化学工业株式会社 2021-10-01 — — CN disclosed
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