SCHEMBL12163676

SCHEMBL12163676

CCCCC(CCC)CCCOc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ PTPN11 Q06124 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PLK1 P53350 3/20 0.46
▸ PLA2G4B P0C869 2/20 0.45
▸ RARB P10826 2/20 0.44
▸ RARA P10276 1/20 0.44
▸ MCL1 Q07820 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
SCHEMBL1023516 0.88 THRA (0.59) THRATHRBPTPN11TP53TSHR
SCHEMBL1988903 0.85 THRA (0.64) THRATHRBPTPN11TP53TSHR
SCHEMBL5469281 0.85 ALDH1A1 (0.52) PPARGPPARATHRATHRBPTPN11
SCHEMBL10944158 0.84 THRA (0.66) THRATHRBPTPN11TP53TSHR
SCHEMBL15153314 0.84 THRA (0.66) THRATHRBPTPN11TP53TSHR
SCHEMBL11245935 0.84 THRA (0.66) THRATHRBPTPN11TP53TSHR
SCHEMBL7171001 0.84 THRA (0.66) THRATHRBPTPN11TP53TSHR
SCHEMBL11705230 0.84 THRA (0.66) THRATHRBPTPN11TP53TSHR
SCHEMBL2341095 0.82 KMT2A (0.55) THRATHRBPTPN11TP53TSHR
SCHEMBL7166122 0.78 THRA (0.53) THRATHRBPTPN11TP53TSHR

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-2114931-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2011-11-02 — — EP disclosed
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