SCHEMBL7705128

SCHEMBL7705128

C=CCOc1ccc(C(=O)OC2CCC(CCCCCCC(=O)C(=C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 9/20 0.37
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
HTT P42858 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL7711204 0.81 NPC1 (0.47) MAPTNPC1RAB9AADRB2ADRB1
SCHEMBL28510951 0.76 ALDH1A1 (0.47) MAPTNPC1RAB9AADRB2ADRB1
SCHEMBL7713596 0.76 NPC1 (0.51) MAPTNPC1RAB9AADRB2ADRB1
SCHEMBL7705118 0.76 MAPT (0.42) MAPTNPC1RAB9AADRB2ADRB1
SCHEMBL7705113 0.76 MAPT (0.42) MAPTNPC1RAB9AADRB2ADRB1
SCHEMBL9592549 0.74 TP53 (0.50) NPC1SMN1; SMN2GPR119
SCHEMBL9592542 0.74 TP53 (0.50) NPC1SMN1; SMN2GPR119
SCHEMBL9591128 0.74 TP53 (0.50) NPC1SMN1; SMN2GPR119
SCHEMBL9591115 0.74 TP53 (0.50) NPC1SMN1; SMN2GPR119
SCHEMBL9592152 0.74 TP53 (0.50) NPC1SMN1; SMN2GPR119

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-6358574-B1 CROSSLINKED POLYSILOXANES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2002-03-19 US disclosed