SCHEMBL13984036

SCHEMBL13984036

C[C@H](NC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.64
▸ PPARG P37231 2/20 0.64
▸ FABP2 P12104 1/20 0.64
▸ SLC22A12 Q96S37 1/20 0.64
▸ CNR1 P21554 14/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ ADRB3 P13945 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ ACHE P22303 1/20 0.61

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
SCHEMBL10972962 1.00 PPARA (0.64) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22221664 0.88 CNR1 (0.65) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL10970653 0.85 CNR1 (0.56) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL10968550 0.84 PPARA (0.60) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL11031297 0.84 PPARA (0.60) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL20710314 0.83 PPARA (0.53) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL31738604 0.83 PPARA (0.53) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL20703801 0.83 PPARA (0.53) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22221490 0.82 PPARA (0.63) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22221437 0.82 PPARA (0.60) PPARAPPARGFABP2SLC22A12CNR1

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-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 — — WO disclosed
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