SCHEMBL8458475

SCHEMBL8458475

CC1(C)CCSc2ccc(C(O)c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.68
RARB P10826 13/20 0.61
RARG P13631 13/20 0.61
RARA P10276 12/20 0.61
CYP26A1 O43174 3/20 0.53
CYP3A4 P08684 2/20 0.53
RXRB P28702 2/20 0.51
CYP26B1 Q9NR63 2/20 0.47
SSTR5 P35346 1/20 0.46
RXRG P48443 1/20 0.43

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
SCHEMBL10565654 0.87 RXRA (0.51) RXRARARBRARGRARACYP26A1
SCHEMBL8101908 0.84 RARB (0.72) RXRARARBRARGRARACYP26A1
SCHEMBL7709227 0.83 CYP3A4 (0.59) RXRARARBRARGRARACYP26A1
SCHEMBL10565430 0.82 RARB (0.70) RXRARARBRARGRARACYP26A1
SCHEMBL27324962 0.82 RARB (0.66) RXRARARBRARGRARACYP26A1
SCHEMBL8776323 0.82 RARA (0.57) RXRARARBRARGRARACYP26A1
SCHEMBL7713109 0.82 CYP3A4 (0.66) RXRARARBRARGRARACYP26A1
SCHEMBL8776329 0.82 RARA (0.57) RXRARARBRARGRARACYP26A1
SCHEMBL8458824 0.81 RXRA (1.00) RXRARARBRARGRARACYP26A1
SCHEMBL10565189 0.79 RARA (0.49) RXRARARBRARGRARACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
US-4829080-A SKIN DISORDERS, PSORIASIS, ACNE L'OREAL (FR) 1989-05-09 US disclosed