SCHEMBL9253579

SCHEMBL9253579

COc1cccc([C](c2ccccc2)c2ccccc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 6/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
PARP1 P09874 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 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
SCHEMBL9101 0.86 RAB9A (0.58) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL1050768 0.84 CES2 (0.62) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL7952 0.82 RAB9A (0.58) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL21517788 0.82 NPC1 (0.53) NPC1RAB9ACES2CES1GAA
SCHEMBL8575442 0.81 MAPT (0.57) NPC1RAB9AGAAHPGDSMN1; SMN2
SCHEMBL8471103 0.75 TP53 (0.53) NPC1RAB9AGAAHPGDSMN1; SMN2
SCHEMBL8474959 0.74 MAPT (0.56) NPC1RAB9AHPGDSMN1; SMN2KCNK3
SCHEMBL157181 0.74 CA1 (0.60) NPC1RAB9AGAASMN1; SMN2KCNK3
SCHEMBL27956213 0.73 KCNK3 (0.44) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL30542256 0.73 CES2 (0.68) NPC1RAB9ACES2CES1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5419966-A Solid support for synthesis of 3'-tailed oligonucleotides MICROPROBE CORPORATION (US) 1995-05-30 US claimed