SCHEMBL5214910

SCHEMBL5214910

CCOC(=O)c1c(OCC(O)CO)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.58
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAD52 P43351 2/20 0.42
KMT2A Q03164 2/20 0.42
DNM1 Q05193 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL5214893 0.83 CCR2 (0.56) CCR2LMNAMAPTGAAHTT
SCHEMBL5220453 0.81 CCR2 (0.53) CCR2LMNAMAPTGAAHTT
SCHEMBL6595551 0.81 CCR2 (0.56) CCR2LMNAMAPTGAAHTT
SCHEMBL5213680 0.80 CCR2 (0.65) CCR2LMNAMAPTGAAHTT
SCHEMBL5214735 0.80 CCR2 (0.54) CCR2LMNAMAPTGAAHTT
SCHEMBL5214927 0.80 CCR2 (0.59) CCR2LMNAMAPTGAAHTT
SCHEMBL8688955 0.80 CCR2 (0.59) CCR2LMNAMAPTGAAHTT
SCHEMBL5216535 0.80 CCR2 (0.59) CCR2LMNAMAPTGAAHTT
SCHEMBL6302584 0.79 CCR2 (0.62) CCR2LMNAMAPTGAAHTT
SCHEMBL5214863 0.79 CCR2 (0.76) CCR2LMNAMAPTGAAHTT

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-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-6833387-B1 3-substituted indoles; inhibition of monocyte chemoattractant protein-1 and/or RANTES induced chemotaxis; inflammatory diseases ASTRAZENECA AB (SE) 2004-12-21 US disclosed
EP-1173421-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000046199-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed