SCHEMBL4754208

SCHEMBL4754208

CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.53
▸ PPARG P37231 3/20 0.53
▸ FABP2 P12104 1/20 0.53
▸ SLC22A12 Q96S37 1/20 0.53
▸ CNR1 P21554 12/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL4754206 1.00 PPARA (0.53) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL12633940 0.86 PPARA (0.47) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL13983839 0.86 CNR1 (0.46) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL4754211 0.85 PPARA (0.48) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL10968550 0.85 PPARA (0.60) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL10970327 0.81 CNR1 (0.66) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22221440 0.80 PPARA (0.56) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL12707654 0.79 PPARA (0.55) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL10972864 0.79 CNR1 (0.58) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL20710314 0.79 PPARA (0.53) 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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