SCHEMBL6319700

SCHEMBL6319700

Cc1cc(C)cc(P(=O)(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(=O)(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCCO4)OCCO3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
PTGER3 P43115 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 2/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL7592864 0.88 NQO2 (0.38) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL6321843 0.87 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL6320203 0.80 RAB9A (0.37) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL7161966 0.75 NPC1 (0.35) NPC1RAB9AALDH1A1MAPTPTGER3
SCHEMBL7594183 0.75 HSP90AA1 (0.37) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL7596886 0.74 NQO2 (0.36) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL6321851 0.73 KDM4E (0.36) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL7594464 0.71 NQO2 (0.36) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7642818 0.70 ALDH1A1 (0.34) ALDH1A1MAPTHTTHSD17B10SMN1; SMN2
SCHEMBL7592861 0.68 NPC1 (0.37) NPC1RAB9AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977246-B2 Certain dinucleotides and their use as modulators of mucociliary clearance and ciliary beat frequency INSPIRE PHARMACEUTICALS, INC. (US) 2005-12-20 US disclosed
US-6946128-B1 Protease conjugates having sterically protected epitope regions THE PROCTER & GAMBLE COMPANY (US) 2005-09-20 US disclosed
US-6348589-B1 INCREASE THE HYDRATION OF RETAINED MUCUS SECRETIONS, STIMULATE THE PRODUCTION OF MUCINS; TREATING CHRONIC BRONCHITIS, CYSTIC FIBROSIS AND PNEUMONIA INSPIRE PHARMACEUTICALS, INC. 2002-02-19 US disclosed