SCHEMBL5820447

SCHEMBL5820447

O=C1NC(=O)C(Cc2ccc(Oc3ccc(CC([AsH2])C(=O)O)cc3)c(F)c2)S1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.44
PTPN1 P18031 2/20 0.44
FFAR1 O14842 7/20 0.43
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41
MPC2 O95563 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2C9 P11712 2/20 0.41
CA2 P00918 1/20 0.40

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
Hydrochloric Acid SCHEMBL5533136 0.89 PTPN1 (0.46) PPARGPTPN1FFAR1THRATHRB
SCHEMBL1385478 0.88 PPARG (0.44) PPARGPTPN1FFAR1THRATHRB
Hydrochloric Acid SCHEMBL4173102 0.87 PPARG (0.44) PPARGPTPN1FFAR1THRATHRB
SCHEMBL3594379 0.84 PPARG (0.48) PPARGPTPN1FFAR1THRATHRB
SCHEMBL1387071 0.84 PPARG (0.47) PPARGPTPN1FFAR1THRATHRB
SCHEMBL13866919 0.82 PTPN1 (0.46) PPARGPTPN1FFAR1THRATHRB
SCHEMBL1386854 0.82 PTPN1 (0.46) PPARGPTPN1FFAR1THRATHRB
SCHEMBL13875580 0.81 PTPN1 (0.46) PPARGPTPN1FFAR1THRATHRB
Hydrochloric Acid SCHEMBL3870101 0.81 PTPN1 (0.46) PPARGPTPN1FFAR1THRATHRB
SCHEMBL13911989 0.80 ALDH1A1 (0.43) PPARGPTPN1FFAR1THRATHRB

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-2006125285-A1 INSULIN SENSITIZATION TO SLOW DOWN PUBERTAL TEMPO AND TO AUGMENT PUBERTAL GROWTH K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2006-11-30 WO disclosed