SCHEMBL8949949

SCHEMBL8949949

C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)CCC(C)CS2(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 19/20 0.50
RARB P10826 18/20 0.50
RARA P10276 16/20 0.46
RXRA P19793 4/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CYP26A1 O43174 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL8949952 1.00 RARG (0.50) RARGRARBRARARXRAALDH1A1
SCHEMBL9419026 0.83 RARG (0.56) RARGRARBRARARXRAALDH1A1
SCHEMBL9419029 0.83 RARG (0.56) RARGRARBRARARXRAALDH1A1
SCHEMBL8950117 0.81 RARG (0.49) RARGRARBRARARXRAALDH1A1
SCHEMBL8776476 0.81 RARG (0.49) RARGRARBRARARXRAALDH1A1
SCHEMBL8457147 0.78 RARG (0.54) RARGRARBRARARXRAALDH1A1
SCHEMBL8457141 0.78 RARG (0.54) RARGRARBRARARXRAALDH1A1
SCHEMBL9145520 0.76 GRM1 (0.33) ALDH1A1TDP1
SCHEMBL26721233 0.73 RARG (0.50) RARGRARBRARARXRAALDH1A1
SCHEMBL2878895 0.72 RARG (0.59) RARGRARBRARARXRAALDH1A1

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
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed