SCHEMBL6599256

SCHEMBL6599256

COCCOc1cccc2c1cc(C(=O)OC)n2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
THRB P10828 3/20 0.53
CCR2 P41597 1/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
F10 P00742 6/20 0.45
TP53 P04637 3/20 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
SCHEMBL6596058 0.91 MAPT (0.53) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL6595874 0.91 CCR2 (0.61) CCR2MTNR1AMTNR1BMCL1F10
SCHEMBL6775247 0.87 CCR2 (0.65) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL7234016 0.84 MAPT (0.55) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL6599254 0.82 MAPT (0.56) MAPTTHRBCCR2MTNR1AMTNR1B
SCHEMBL6596946 0.81 MAPT (0.59) MAPTTHRBKMT2AALDH1A1GAA
SCHEMBL6596843 0.80 CCR2 (0.65) MAPTCCR2KMT2AF10
SCHEMBL6591932 0.79 CCR2 (0.64) MAPTCCR2KMT2AF10
SCHEMBL6598132 0.79 CCR2 (0.64) MAPTCCR2KMT2AF10
SCHEMBL6594219 0.79 CCR2 (0.57) CCR2MTNR1AMTNR1BMCL1

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