SCHEMBL6595233

SCHEMBL6595233

COC(=O)COc1cccc2c1cc(C(=O)OC)n2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
CCR2 P41597 2/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
KMT2A Q03164 1/20 0.49
PTGS2 P35354 1/20 0.49
PLA2G2A P14555 1/20 0.46
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.43
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
P2RX7 Q99572 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6597958 0.92 MAPT (0.57) MAPTCCR2KMT2APLA2G2ATHRB
SCHEMBL6596771 0.89 CCR2 (0.47) MAPTCCR2MTNR1AMTNR1BKMT2A
SCHEMBL6308930 0.85 MAPT (0.55) MAPTCCR2MTNR1AMTNR1BKMT2A
SCHEMBL6308115 0.82 MAPT (0.59) MAPTCCR2MTNR1AMTNR1BKMT2A
SCHEMBL6597560 0.81 CCR2 (0.63) MAPTCCR2KMT2ATP53
SCHEMBL6595946 0.80 CCR2 (0.61) CCR2MTNR1AMTNR1BPLA2G2A
SCHEMBL6775247 0.78 CCR2 (0.65) MAPTCCR2MTNR1AMTNR1BKMT2A
SCHEMBL6596843 0.78 CCR2 (0.65) MAPTCCR2KMT2A
SCHEMBL2156949 0.78 KDM4E (0.49) MAPTCCR2MTNR1AMTNR1BPLA2G2A
SCHEMBL6596058 0.78 MAPT (0.53) MAPTCCR2MTNR1AMTNR1BKMT2A

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