Acetaldehyde

Acetaldehyde

SCHEMBL8008018

CC=O.COc1cc2c(cc1C1CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.44
RXRB P28702 4/20 0.38
RXRG P48443 3/20 0.38
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
HTR2A P28223 6/20 0.35
POLA1 P09884 2/20 0.33
HTR2C P28335 2/20 0.33
MET P08581 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL15348324 0.74 RXRA (0.51) RXRARXRBRXRGRARARARB
SCHEMBL7713216 0.72 ALDH1A1 (0.55) RXRARXRBRXRGRARARARB
SCHEMBL8008022 0.70 RXRA (0.39) RXRARXRBRXRGRARARARB
SCHEMBL5359395 0.69 RXRA (0.75) RXRARXRBRXRGRARARARB
SCHEMBL24765632 0.69 ALDH1A1 (0.60) HTR2AHTR2C
SCHEMBL6017468 0.69 RXRA (0.43) RXRARXRBRXRGRARARARB
SCHEMBL8293241 0.68 RXRA (0.51) RXRARXRBRXRGRARARARB
SCHEMBL8421087 0.67 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL5366510 0.66 RXRA (0.45) RXRARXRBRXRGRARARARB
SCHEMBL8704549 0.65 RXRA (0.71) RXRARXRBRXRGRARARARB

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
WO-2000026173-A1 NOVEL RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (DE) 2000-05-11 WO disclosed
US-6005007-A SKIN DISORDERS LIGAND PHARMACEUTICALS INCORPORATED 1999-12-21 US disclosed