SCHEMBL6507158

SCHEMBL6507158

CCCCCCc1ccc(-c2cccc(CCC(C)C(OC(C)=O)OC(C)=O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.45
RARA P10276 2/20 0.45
MMP12 P39900 1/20 0.45
RARG P13631 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 4/20 0.43
S1PR2 O95136 3/20 0.43
S1PR3 Q99500 3/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
S1PR4 O95977 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
SCHEMBL6505454 0.84 ACACB (0.49) MMP12
SCHEMBL6507161 0.81 RARB (0.46) RARBRARARARGMEN1ALDH1A1
SCHEMBL6505903 0.81 MMP12 (0.64) MMP12
SCHEMBL6503745 0.79 THRA (0.46) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6527017 0.77 MMP12 (0.40) RARBRARAMMP12RARGMEN1
SCHEMBL8719496 0.76 RARB (0.55) RARBRARARARGMEN1ALDH1A1
SCHEMBL6505017 0.75 MMP12 (0.51) MMP12MEN1ALDH1A1KMT2A
SCHEMBL237103 0.75 PPARA (0.53) RARBRARARARGMEN1ALDH1A1
Bicarbonate SCHEMBL27570637 0.74 PPARA (0.57) RARBRARARARGMEN1ALDH1A1
SCHEMBL8721451 0.74 RARB (0.58) RARBRARARARGMEN1ALDH1A1

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed