SCHEMBL6599254

SCHEMBL6599254

COC(=O)c1cc2c(OC(C)OC)cccc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
THRB P10828 4/20 0.56
CCR2 P41597 1/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F10 P00742 3/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6775247 0.87 CCR2 (0.65) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL6595855 0.85 MAPT (0.49) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL6596058 0.84 MAPT (0.53) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL7234016 0.84 MAPT (0.55) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL6596946 0.83 MAPT (0.59) MAPTTHRBALDH1A1GAAPKM
SCHEMBL6599256 0.82 MAPT (0.53) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL6599157 0.81 CCR2 (0.66) MAPTCCR2KMT2ATP53
SCHEMBL6598129 0.79 CCR2 (0.64) MAPTCCR2KMT2ATP53
SCHEMBL28588147 0.79 MAPT (0.55) MAPTTHRBALDH1A1GAAPKM
SCHEMBL6598091 0.78 CCR2 (0.62) MAPTCCR2KMT2ATP53F10

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