SCHEMBL4543377

SCHEMBL4543377

CC(C=O)N(C(=O)O)c1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PTPN1 P18031 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 4/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
GPX4 P36969 1/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CTNNB1 P35222 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4327065 0.85 CHRM2 (0.38) PTGS1PTGS2PTPN1
SCHEMBL3523911 0.75 TSHR (0.49) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL2545519 0.72 MEN1 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL20266539 0.72 TRPM8 (0.44) PTGS1PTGS2ALDH1A1HPGDLMNA
SCHEMBL7447573 0.70 SMN1; SMN2 (0.50) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL1642239 0.70 ALDH1A1 (0.40) ALDH1A1MAPTGAAHPGDLMNA
SCHEMBL2176096 0.70 MTNR1A (0.41) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL25541795 0.69 ADRA2A (0.49) PTGS1PTGS2PTPN1NPC1RAB9A
SCHEMBL27818397 0.69 PTPN1 (0.59) PTPN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL4326713 0.69 TRPM8 (0.48) NPC1RAB9AALDH1A1KDM4ETSHR

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
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 WO disclosed