Ethane

Ethane

SCHEMBL28112987

CC.Oc1ccc(-c2cc(C3CCCCC3)ccc2O)cc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.49
ESR2 Q92731 11/20 0.43
ESR1 P03372 6/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2D6 P10635 1/20 0.43
DEGS1 O15121 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
QDPR P09417 1/20 0.41
APP P05067 1/20 0.40
BIRC5 O15392 1/20 0.40
PELI1 Q96FA3 1/20 0.40

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
SCHEMBL28791409 0.97 ACMSD (0.51) ACMSDESR2ESR1CYP3A4CYP2C9
P-Cresol SCHEMBL15512160 0.84 ACMSD (0.49) ACMSDESR2ESR1CYP3A4CYP2C9
SCHEMBL7083400 0.84 ACMSD (0.51) ACMSDESR2DEGS1HDAC4HDAC2
SCHEMBL21630420 0.84 ACMSD (0.55) ACMSDCYP3A4CYP2C9HDAC4HDAC2
SCHEMBL9143330 0.84 ACMSD (0.55) ACMSDCYP3A4CYP2C9HDAC4HDAC2
SCHEMBL7932026 0.83 ACMSD (0.61) ACMSDESR2HDAC4HDAC2HDAC8
SCHEMBL27695861 0.82 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL23854348 0.81 ESR2 (0.45) ACMSDESR2ESR1CYP3A4CYP2C9
SCHEMBL27758482 0.81 ACMSD (0.49) ACMSDCYP3A4CYP2C9HDAC4HDAC2
SCHEMBL7666239 0.77 ESR2 (0.60) ESR2ESR1CYP3A4CYP2C9CYP2D6

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-106054527-A Photosensitive resin composition and application thereof 奇美实业股份有限公司 2016-10-26 CN disclosed