SCHEMBL5310786

SCHEMBL5310786

CCCON=C(COc1cc(C(=O)OC)cc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY8 P40145 2/20 0.39
▸ ADCY1 Q08828 2/20 0.39
▸ GABRA5 P31644 3/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ MAPT P10636 6/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5310781 1.00 ADCY8 (0.39) ADCY8ADCY1GABRA5NOTUMMAPT
SCHEMBL5316156 0.93 MAPT (0.41) GABRA5MAPTLMNAPTPN1SMN1; SMN2
SCHEMBL5316159 0.93 MAPT (0.41) GABRA5MAPTLMNAPTPN1SMN1; SMN2
SCHEMBL5316141 0.92 PTPN1 (0.38) ADCY8ADCY1MAPTLMNAPTPN1
SCHEMBL5316148 0.92 PTPN1 (0.38) ADCY8ADCY1MAPTLMNAPTPN1
SCHEMBL5310815 0.90 PTPN1 (0.40) GABRA5MAPTLMNAPTPN1SMN1; SMN2
SCHEMBL5310820 0.90 PTPN1 (0.40) GABRA5MAPTLMNAPTPN1SMN1; SMN2
SCHEMBL5310823 0.89 MAPT (0.38) GABRA5MAPTLMNAPTPN1SMN1; SMN2
SCHEMBL5310817 0.89 MAPT (0.38) GABRA5MAPTLMNAPTPN1SMN1; SMN2
SCHEMBL5312934 0.88 MAPT (0.38) GABRA5MAPTLMNAPTPN1SMN1; SMN2

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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