SCHEMBL5030952

SCHEMBL5030952

CCC(C)(C)c1ccc(Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CASP1 P29466 1/20 0.52
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
CTNNB1 P35222 1/20 0.46
LMNA P02545 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45

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
SCHEMBL699306 0.87 NPSR1 (0.48) NPC1RAB9APOLBCYP2C9NPSR1
SCHEMBL699305 0.87 PSEN1 (0.49) NPC1RAB9APOLBCYP2C9NPSR1
SCHEMBL9769806 0.86 TDP1 (0.60) NPC1RAB9APOLBCYP2C9NPSR1
SCHEMBL294263 0.85 NPSR1 (0.56) RAB9APOLBNPSR1L3MBTL1MAPT
SCHEMBL29539667 0.85 NPSR1 (0.56) RAB9APOLBNPSR1L3MBTL1MAPT
SCHEMBL10686662 0.84 NPSR1 (0.55) RAB9APOLBNPSR1L3MBTL1MAPT
SCHEMBL5030934 0.81 NPSR1 (0.52) NPC1RAB9APOLBCYP2C9NPSR1
SCHEMBL28411450 0.81 CTNNB1 (0.66) RAB9APOLBCYP2C9L3MBTL1MAPT
SCHEMBL9719961 0.79 HTT (0.54) RAB9ACYP2C9NPSR1L3MBTL1MAPT
SCHEMBL8104321 0.79 LTA4H (0.58) NPC1RAB9ANPSR1L3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459263-B2 Optical recording media with triplet-sensitized isomerization EASTMAN KODAK COMPANY (US) 2008-12-02 US disclosed
US-20050136357-A1 Optical recording media with triplet-sensitzed isomerization FPC INC. 2005-06-23 US disclosed