SCHEMBL14060871

SCHEMBL14060871

CC(C)(Oc1cccc(OCC(=O)O)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ PPARG P37231 9/20 0.53
▸ PPARA Q07869 8/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ PLA2G4B P0C869 1/20 0.50
▸ PPARD Q03181 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ MAP4K4 O95819 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL5727660 0.83 PPARA (0.57) PPARGPPARAPPARDMAP4K4MEN1
SCHEMBL5726752 0.83 PPARA (0.60) PPARGPPARAPPARDMAP4K4MEN1
SCHEMBL413254 0.83 LMNA (0.81) LMNAPPARGPPARAALOX15PLA2G4B
SCHEMBL5726351 0.82 PPARA (0.58) PPARGPPARAPPARDMAP4K4MEN1
SCHEMBL10254673 0.81 LMNA (0.63) LMNAPPARGPPARAALOX15PLA2G4B
SCHEMBL7988206 0.80 PPARA (0.55) LMNAPPARGPPARAPPARDPTPN7
SCHEMBL15063356 0.78 LMNA (0.74) LMNAPPARGPPARAALOX15PLA2G4B
SCHEMBL3845579 0.78 PPARG (0.56) PPARGPPARAPPARDPTPN7MAP4K4
SCHEMBL30785439 0.78 LMNA (1.00) LMNAPPARGPPARAALOX15PLA2G4B
SCHEMBL594554 0.78 LMNA (1.00) LMNAPPARGPPARAALOX15PLA2G4B

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-2012160112-A1 NOVEL IODINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF AS AMINATION AGENTS FUNDACIÓ PRIVADA INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2012-11-29 — — WO disclosed
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