SCHEMBL6596771

SCHEMBL6596771

COC(=O)COc1cccc2c1cc(C(=O)OC)n2Cc1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
MAPT P10636 7/20 0.44
TP53 P04637 2/20 0.44
F10 P00742 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 2/20 0.41
PLA2G2A P14555 1/20 0.41
JAK2 O60674 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
S1PR3 Q99500 1/20 0.39

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
SCHEMBL6595233 0.89 MAPT (0.53) CCR2MAPTTP53KDM4ELMNA
SCHEMBL6597958 0.87 MAPT (0.57) CCR2MAPTF10KMT2ASMN1; SMN2
SCHEMBL6307047 0.86 HPGD (0.48) CCR2MAPTTP53F10KDM4E
SCHEMBL6598529 0.83 F10 (0.52) CCR2MAPTTP53F10SMN1; SMN2
SCHEMBL6596097 0.81 CCR2 (0.55) CCR2PLA2G2A
SCHEMBL2156949 0.78 KDM4E (0.49) CCR2MAPTTP53KDM4EALDH1A1
SCHEMBL6597560 0.77 CCR2 (0.63) CCR2MAPTTP53KMT2A
SCHEMBL6596843 0.74 CCR2 (0.65) CCR2MAPTF10KMT2A
SCHEMBL6775247 0.74 CCR2 (0.65) CCR2MAPTTP53F10ALDH1A1
SCHEMBL6596058 0.74 MAPT (0.53) CCR2MAPTTP53F10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150954-B1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-13 EP disclosed
US-6569888-B1 Such as ethyl-N-(dichlorobenzyl)-4-(3-hydroxypropylthio) indole-2-carboxylate; for treatment of arthritis ASTRAZENECA AB (SE) 2003-05-27 US disclosed
EP-1150954-A1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046198-A1 ANTI-INFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2000-08-10 WO disclosed