SCHEMBL8324883

SCHEMBL8324883

COc1cccc(C(=O)c2oc3cc(NC(C)=O)ccc3c2CCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 2/20 0.47
MTNR1B P49286 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 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
SCHEMBL8305023 0.81 ALDH1A1 (0.44) RAB9ATSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL8307013 0.81 ALDH1A1 (0.45) POLBTSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL8326272 0.80 CA12 (0.41) RAB9ATSHRHSD17B10MEN1KMT2A
SCHEMBL9070589 0.76 CA12 (0.43) POLBSMN1; SMN2MEN1KMT2AATM
SCHEMBL8546281 0.75 MAPT (0.58) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8554638 0.74 ALDH1A1 (0.40) NPC1RAB9APOLBTSHRSMN1; SMN2
SCHEMBL8305025 0.73 ALDH1A1 (0.41) NPC1RAB9APOLBTSHRSMN1; SMN2
SCHEMBL8307015 0.73 KDM4E (0.46) NPC1RAB9APOLBTSHRSMN1; SMN2
SCHEMBL9075776 0.72 ALDH1A1 (0.48) NPC1RAB9APOLBSMN1; SMN2HSD17B10
SCHEMBL16547892 0.68 MAPT (0.57) NPC1RAB9APOLBTSHRSMN1; SMN2

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-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed