SCHEMBL7904992

SCHEMBL7904992

COC(=O)c1ccc(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
CA9 Q16790 3/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
SCN2A Q99250 2/20 0.59
CA12 O43570 1/20 0.59
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.56
CA4 P22748 1/20 0.55
POLB P06746 1/20 0.52
PPARA Q07869 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL27570670 0.95 PLA2G1B (0.65) PLA2G1BATG4BCA9CA1CA2
SCHEMBL7898829 0.90 PLA2G1B (0.59) PLA2G1BATG4BCA9CA1CA2
SCHEMBL7911548 0.88 ALDH1A1 (0.61) HSD17B10POLBSMN1; SMN2MAPK1GAA
SCHEMBL7898827 0.87 NR1H3 (0.60) PLA2G1BATG4BCA9CA1CA2
SCHEMBL10808030 0.87 SCN2A (0.76) PLA2G1BATG4BCA9CA1CA2
SCHEMBL18053290 0.83 CA1 (0.76) PLA2G1BATG4BCA9CA1CA2
SCHEMBL25314971 0.81 HPGD (0.56) PLA2G1BATG4BCA9CA1CA2
SCHEMBL8586537 0.81 CA9 (0.55) PLA2G1BATG4BCA9CA1CA2
SCHEMBL8915839 0.81 CA9 (0.67) PLA2G1BATG4BCA9CA1CA2
SCHEMBL1618305 0.81 ALDH1A1 (0.70) CA9CA1CA2SCN2ACA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083888-A1 MULTIBINDING AGENTS THAT MODULATE PPARgamma AND RXR RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed
WO-1999063983-A1 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed