SCHEMBL4745127

SCHEMBL4745127

CCCCc1c(C)cc(C)c(C)c1[O]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
SKP2 Q13309 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 2/20 0.33
CYP19A1 P11511 1/20 0.33
DAO P14920 1/20 0.32
CCR5 P51681 2/20 0.32
TYMP P19971 1/20 0.32
NOS2 P35228 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL4743744 0.83 HTT (0.39) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL27738318 0.80 HTT (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1091644 0.73 HTT (0.35) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL27679482 0.73 CYP19A1 (0.44) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL8732546 0.71 CCR5 (0.45) SKP2CYP19A1CCR5THRB
SCHEMBL394722 0.71 MAPK1 (0.33) HTTMAPK1PGK1PGK2
SCHEMBL12487266 0.71 HTT (0.44) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL30715778 0.70 HTT (0.52) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL200139 0.70 HPGD (0.52) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5800572 0.69 CYP19A1 (0.46) HTTNPC1HPGDMAPK1RAB9A

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-2008105546-A1 PRODUCTION PROCESS OF OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 WO disclosed