SCHEMBL16799573

SCHEMBL16799573

CCS(=O)(=O)Nc1ccc(CC(=O)OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 4/20 0.61
HTT P42858 1/20 0.61
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
AR P10275 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL23647680 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2LMNAHTTCYP4F2
SCHEMBL1421898 0.83 HPGD (0.65) HPGDSMN1; SMN2LMNAHTTMAPT
SCHEMBL4161796 0.81 HPGD (0.62) HPGDSMN1; SMN2LMNAHTTMAPT
SCHEMBL4113212 0.80 CYP4F2 (0.76) HPGDSMN1; SMN2LMNAHTTCYP4F2
SCHEMBL11560978 0.80 SMN1; SMN2 (0.56) SMN1; SMN2LMNACYP4F2CYP4A11MAPT
SCHEMBL398078 0.78 HPGD (0.57) HPGDSMN1; SMN2LMNAHTTMAPT
SCHEMBL12255153 0.77 LMNA (0.58) HPGDSMN1; SMN2LMNAHTTMAPT
SCHEMBL2693160 0.77 ALDH1A1 (0.63) HPGDSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL2286242 0.77 CYP4F2 (0.61) HPGDSMN1; SMN2LMNACYP4F2CYP4A11
SCHEMBL12309811 0.76 HPGD (0.77) HPGDSMN1; SMN2LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed