SCHEMBL7708780

SCHEMBL7708780

COc1ccc(C(CCCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.66
KCNH2 Q12809 1/20 0.66
PDE4B Q07343 1/20 0.53
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL19809495 0.94 KIF11 (0.62) KIF11KCNH2PDE4BNPC1RAB9A
SCHEMBL16468009 0.85 KIF11 (0.55) KIF11KCNH2
SCHEMBL22150730 0.83 KIF11 (0.71) KIF11KCNH2HTT
SCHEMBL7708779 0.81 KIF11 (0.69) KIF11KCNH2HTT
SCHEMBL7706703 0.81 KIF11 (0.73) KIF11KCNH2HTT
SCHEMBL10877618 0.81 KIF11 (0.73) KIF11KCNH2HTT
SCHEMBL1633685 0.80 KIF11 (0.53) KIF11NPSR1
SCHEMBL8972758 0.80 KIF11 (0.68) KIF11KCNH2HTT
SCHEMBL15212059 0.80 KIF11 (0.71) KIF11KCNH2HTT
SCHEMBL6834879 0.79 PDE4B (0.54) KIF11KCNH2PDE4BHTTNPSR1

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
EP-1208234-A1 POLY(ETHER-THIOETHER), POLY(ETHER-SULFOXIDE) AND POLY(ETHER-SULFONE) NUCLEIC ACIDS BIO-RAD LABORATORIES, INC. (US) 2002-05-29 EP disclosed
US-6348583-B1 NUCLEOBASE CONTAINING POLYTHIOETHERS SYNTHESIZED ON POLYETHYLENE GLYCOL, SUCCINIC ANHYDRIDE AND PROPYLAMINE MODIFIED GLASS; NUCLEIC ACID MIMETICS BIO-RAD LABORATORIES, INC. 2002-02-19 US disclosed
WO-2001016365-A1 POLY(ETHER-THIOETHER), POLY(ETHER-SULFOXIDE) AND POLY(ETHER-SULFONE) NUCLEIC ACIDS BIO-RAD LABORATORIES, INC. (US) 2001-03-08 WO disclosed