SCHEMBL8617664

SCHEMBL8617664

CCCCc1cc(C)c(O)c(O)c1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TYR P14679 3/20 0.44
MAOA P21397 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
ALOX5 P09917 6/20 0.39
ESR1 P03372 3/20 0.39
MEN1 O00255 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5678035 0.96 TYR (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676478 0.96 TYR (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5681218 0.90 HPGD (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5921312 0.89 CYP19A1 (0.44) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL11883552 0.88 HTT (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5920534 0.87 TYR (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL27443920 0.86 HTT (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676719 0.86 LDHA (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676677 0.84 TYR (0.44) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5196695 0.83 NPC1 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101731627-A Drink or oral liquid capable of supplementing various trace elements XUBIN SUO 2010-06-16 CN claimed
CN-101731627-A Drink or oral liquid capable of supplementing various trace elements XUBIN SUO 2010-06-16 CN disclosed
EP-0666977-B1 OXYGEN-SENSITIVE COLOUR INDICATOR FOR DETECTING LEAKS IN GAS-PROTECTED FOOD PACKAGES VALTION TEKNILLINEN (FI) 1998-05-13 EP disclosed
EP-0666977-A1 LEAK INDICATOR VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1995-08-16 EP disclosed
WO-1993024820-A1 LEAK INDICATOR VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1993-12-09 WO disclosed