SCHEMBL16638609

SCHEMBL16638609

COc1cc(-c2cc3nccc(-c4cccc(C)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 3/20 0.50
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 1/20 0.44
SYK P43405 1/20 0.41
FYN P06241 3/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
RPS6KA2 Q15349 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 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
SCHEMBL722839 0.88 PDE4C (0.51) PDE4CHPGDALDH1A1KDM4EJAK2
SCHEMBL723093 0.88 PDE4C (0.55) PDE4CHPGDALDH1A1KDM4EJAK2
SCHEMBL723597 0.88 FYN (0.54) PDE4CALDH1A1JAK2JAK1TYK2
SCHEMBL10267650 0.88 FYN (0.54) PDE4CALDH1A1JAK2JAK1TYK2
SCHEMBL16638610 0.87 PDE4C (0.47) PDE4CALDH1A1JAK2JAK1TYK2
SCHEMBL723624 0.86 PDE4C (0.47) PDE4CALDH1A1JAK2JAK1TYK2
SCHEMBL724163 0.85 HPGD (0.40) HPGDALDH1A1TSHRHSD17B10KDM4E
SCHEMBL722271 0.85 PDE4C (0.48) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL722497 0.85 PDE4C (0.47) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL722343 0.85 PDE4C (0.47) PDE4CHPGDALDH1A1KDM4EJAK2

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
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed