SCHEMBL12487266

SCHEMBL12487266

CCCCc1c(C)cc(C)cc1[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
SKP2 Q13309 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL30715778 0.84 HTT (0.52) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL28349815 0.78 PTGS2 (0.46) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL2452906 0.76 PTGS2 (0.48) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL8733028 0.76 PTGS2 (0.48) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL1988145 0.76 PTGS2 (0.48) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL2456019 0.76 PTGS2 (0.48) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL17114321 0.75 HTT (0.44) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL10748511 0.75 HTT (0.64) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL324195 0.72 HRH3 (0.48) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL10752271 0.72 ALOX5 (0.44) HTTHPGDNPC1MAPK1RAB9A

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
WO-2012118233-A1 ADDITION POLYMERIZATION METHOD, PREPOLYMERIZED CATALYTIC COMPONENT FOR ADDITION POLYMERIZATION, AND METHOD FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-07 WO disclosed