SCHEMBL17043201

SCHEMBL17043201

CCCCCc1c(C(=O)O)ccc(N(C)C)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
RARB P10826 4/20 0.44
PPARG P37231 1/20 0.42
KAT8 Q9H7Z6 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
PLK1 P53350 10/20 0.41
PLK3 Q9H4B4 4/20 0.41
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL28435133 0.83 PPARA (0.48) PPARARARBPPARGKAT8RARA
SCHEMBL5954933 0.82 PPARA (0.48) PPARARARBPPARGKAT8RARA
SCHEMBL2783784 0.82 PPARA (0.48) PPARARARBPPARGKAT8RARA
SCHEMBL3719445 0.81 PPARA (0.57) PPARARARBPPARGKAT8RARA
SCHEMBL14836443 0.79 PPARA (0.60) PPARARARBPPARGKAT8RARA
SCHEMBL6864045 0.79 PPARA (0.60) PPARARARBPPARGKAT8RARA
SCHEMBL93465 0.79 PPARA (0.60) PPARARARBPPARGKAT8RARA
SCHEMBL15710492 0.79 PPARA (0.60) PPARARARBPPARGKAT8RARA
SCHEMBL3662660 0.79 PPARA (0.60) PPARARARBPPARGKAT8RARA
SCHEMBL6443257 0.79 PPARA (0.60) PPARARARBPPARGKAT8RARA

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
EP-2913052-A1 Phototherapy compositions and methods OMJ Ireland Limited (PR) 2015-09-02 EP claimed