SCHEMBL5214867

SCHEMBL5214867

CCOC(=O)c1[nH]c2cccc(Cc3ccc(Cl)c(Cl)c3)c2c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.47
ALOX15 P16050 8/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MAP3K5 Q99683 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 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
SCHEMBL8794573 0.75 ALOX15 (0.51) ALOX15MAPTMAPK1MAP3K5ALDH1A1
SCHEMBL7074273 0.71 MDM2 (0.40)
SCHEMBL18584340 0.71 MAP3K5 (0.56) ALOX5MAPTMAPK1PDE3BPDE3A
SCHEMBL7566334 0.71 MAPT (0.53) ALOX15MAPTMAPK1MAP3K5ALDH1A1
SCHEMBL9023820 0.70 MAPT (0.46) ALOX5MAPTMAPK1PDE3BPDE3A
SCHEMBL7004935 0.70 MAPT (0.44) ALOX5PTGESALOX15MAPTALDH1A1
SCHEMBL7463695 0.70 SLC6A2 (0.41) MAPTMAPK1CYP1A2CYP2C19TUBB4A
SCHEMBL5215529 0.69 CCR2 (0.53) MAPTSMN1; SMN2TSHR
SCHEMBL7672077 0.69 TUBB4A (0.67) ALOX5ALOX15MAPTALDH1A1HPGD
SCHEMBL18796672 0.69 PDE3B (0.73) ALOX5PTGESMAPTMAPK1PDE3B

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 1 patent. 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