SCHEMBL18822154

SCHEMBL18822154

CCC1CC1c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.40
RARB P10826 6/20 0.40
RARG P13631 6/20 0.40
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
RARA P10276 2/20 0.36
SLC6A4 P31645 4/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP26A1 O43174 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35

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
SCHEMBL8365634 0.86 RXRA (0.42) RXRARARBRARGHTR2AHTR2C
SCHEMBL8362259 0.86 RXRA (0.42) RXRARARBRARGHTR2AHTR2C
SCHEMBL8362255 0.86 RXRA (0.42) RXRARARBRARGHTR2AHTR2C
SCHEMBL18573596 0.80 RXRA (0.43) RXRARARBRARGRARARXRB
SCHEMBL19423206 0.79 RXRA (0.38) RXRARARBRARGHTR2AHTR2C
SCHEMBL8364733 0.73 RXRA (0.47) RXRARARBRARGRARARXRB
SCHEMBL8366248 0.73 RXRA (0.47) RXRARARBRARGRARARXRB
SCHEMBL7503006 0.73 RXRA (0.47) RXRARARBRARGRARARXRB
SCHEMBL7567313 0.73 RXRA (0.50) RXRARARBRARGRARARXRB
SCHEMBL9183823 0.73 RARB (0.45) RXRARARBRARGRARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017155578-A1 TREATMENT OF MUSCULAR DISORDERS WITH COMBINATIONS OF RXR AGONISTS AND THYROID HORMONES Io Therapeutics, Inc. (US) 2017-09-14 WO disclosed
WO-2017075612-A1 TREATMENT OF CANCER WITH COMBINATIONS OF RXR AGONISTS AND THYROID HORMONES Io Therapeutics, Inc. (US) 2017-05-04 WO disclosed
WO-2017075607-A1 TREATMENT OF NERVOUS SYSTEM DISORDERS USING COMBINATIONS OF PXR AGONISTS AND THYROID HORMONES Io Therapeutics, Inc. (US) 2017-05-04 WO disclosed