SCHEMBL5316148

SCHEMBL5316148

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.38
▸ PPARA Q07869 3/20 0.36
▸ ADCY8 P40145 1/20 0.36
▸ ADCY1 Q08828 1/20 0.36
▸ P2RY14 Q15391 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL5316141 1.00 PTPN1 (0.38) PTPN1PPARAADCY8ADCY1P2RY14
SCHEMBL5310786 0.92 ADCY8 (0.39) PTPN1ADCY8ADCY1MAPTLMNA
SCHEMBL5310781 0.92 ADCY8 (0.39) PTPN1ADCY8ADCY1MAPTLMNA
SCHEMBL5310760 0.88 PTPN1 (0.39) PTPN1PPARAMAPTLMNASMN1; SMN2
SCHEMBL5310753 0.88 PTPN1 (0.39) PTPN1PPARAMAPTLMNASMN1; SMN2
SCHEMBL5310820 0.88 PTPN1 (0.40) PTPN1PPARAMAPTLMNASMN1; SMN2
SCHEMBL5310815 0.88 PTPN1 (0.40) PTPN1PPARAMAPTLMNASMN1; SMN2
SCHEMBL14530962 0.87 PTPN1 (0.40) PTPN1PPARAMAPTLMNASMN1; SMN2
SCHEMBL5316162 0.87 PTPN1 (0.38) PTPN1PPARAMAPTLMNASMN1; SMN2
SCHEMBL5311834 0.86 MAPT (0.47) PTPN1PPARAMAPTSMN1; SMN2TP53

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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