SCHEMBL1126583

SCHEMBL1126583

CCOC(=O)c1[nH]cc(-c2cccc(Cl)c2)c1CCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
ALDH1A1 P00352 3/20 0.44
ALOX5 P09917 4/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CYP1A2 P05177 1/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGES O14684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
EGFR P00533 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL1126618 0.84 EGFR (0.40) HPGDMAPK1CYP1A2CYP2C19TP53
SCHEMBL1126776 0.72 ALDH1A1 (0.53) ALDH1A1ALOX5HPGDMAPTMAPK1
SCHEMBL1126638 0.70 CLEC4M (0.43) JAK2JAK3CYP1A2CYP2C19PDE3B
SCHEMBL1990531 0.70 JAK2 (0.53) JAK2JAK3ALDH1A1ALOX5HPGD
SCHEMBL30741062 0.69 JAK2 (0.52) JAK2JAK3ALDH1A1ALOX5HPGD
SCHEMBL15162603 0.69 GABRA2 (0.45) JAK2JAK3ALOX5MAPTTRPM8
SCHEMBL20806415 0.69 CYP1A2 (0.53) JAK2JAK3ALDH1A1ALOX5HPGD
SCHEMBL5988350 0.68 TRPM8 (0.46) JAK2JAK3ALDH1A1ALOX5MAPT
SCHEMBL12991545 0.68 TRPV1 (0.53) ALOX5MAPTTRPM8CYP1A2CYP2C19
SCHEMBL5772744 0.68 ALOX5 (0.50) JAK2JAK3ALDH1A1ALOX5HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed