SCHEMBL8310602

SCHEMBL8310602

N#Cc1ccc2cc(OCC(=O)c3ccccc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 4/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
KLKB1 P03952 1/20 0.52
PRSS1 P07477 1/20 0.52
PTPN7 P35236 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
PORCN Q9H237 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL6200776 0.88 NPC1 (0.60) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9925462 0.87 KDM4E (0.68) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9100540 0.84 PTPN7 (0.63) KDM4EPTPN7KMT2AMEN1ALDH1A1
SCHEMBL1312768 0.84 PTPN7 (0.72) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9786970 0.80 MAPT (0.74) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1068092 0.77 MAPT (0.69) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2793970 0.75 MAPT (0.56) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8310667 0.75 PLAU (0.58) KDM4ENPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8136104 0.75 MAPT (0.67) KDM4ENPC1MAPTRAB9ASMN1; SMN2
Methane SCHEMBL28765047 0.75 MAPT (0.67) KDM4ENPC1MAPTRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed