SCHEMBL5313697

SCHEMBL5313697

CCCON=C(COc1cccc(C(=O)OC)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HAVCR2 Q8TDQ0 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL5313691 1.00 MAPT (0.45) MAPTSMN1; SMN2TP53HAVCR2MRGPRX4
SCHEMBL5316156 0.92 MAPT (0.41) MAPTSMN1; SMN2TP53HAVCR2RAB9A
SCHEMBL5316159 0.92 MAPT (0.41) MAPTSMN1; SMN2TP53HAVCR2RAB9A
SCHEMBL5313664 0.92 MAPT (0.48) MAPTSMN1; SMN2TP53POLBRAB9A
SCHEMBL5313667 0.92 MAPT (0.48) MAPTSMN1; SMN2TP53POLBRAB9A
SCHEMBL5311831 0.91 MAPT (0.47) MAPTSMN1; SMN2TP53HAVCR2MRGPRX4
SCHEMBL5311834 0.91 MAPT (0.47) MAPTSMN1; SMN2TP53HAVCR2MRGPRX4
SCHEMBL5310820 0.89 PTPN1 (0.40) MAPTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL5310815 0.89 PTPN1 (0.40) MAPTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL5310817 0.88 MAPT (0.38) MAPTSMN1; SMN2TP53HAVCR2RAB9A

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-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 — — WO disclosed
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