SCHEMBL3973116

SCHEMBL3973116

CC(C)COC(=O)N1CCCC1COS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
HCRTR2 O43614 11/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
XPNPEP1 Q9NQW7 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
SCHEMBL3360692 0.81 RAB9A (0.64) RAB9AHCRTR2HTTTSHRALDH1A1
SCHEMBL4576862 0.81 RAB9A (0.64) RAB9AHCRTR2HTTTSHRALDH1A1
SCHEMBL7542669 0.81 SMN1; SMN2 (0.45) RAB9AHCRTR2XPNPEP1
SCHEMBL9978311 0.81 RAB9A (0.56) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL23084663 0.80 RAB9A (0.56) RAB9AHCRTR2HTTTSHRALDH1A1
SCHEMBL4267780 0.80 POLB (0.40) RAB9AHCRTR2HTTALDH1A1GAA
SCHEMBL10120835 0.79 RAB9A (0.61) RAB9AHCRTR2HTTTSHRALDH1A1
SCHEMBL2546757 0.78 POLB (0.41) RAB9AHCRTR2XPNPEP1
SCHEMBL2788731 0.78 POLB (0.41) RAB9AHCRTR2XPNPEP1
SCHEMBL793131 0.78 POLB (0.41) RAB9AHCRTR2XPNPEP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009050159-A1 COMBINATION OF FLUTICASONE FUROATE WITH 4- [ (4-CHL0R0PHENYL)METHYL] -2- ({ (2R)-I- [4-(4-{ [3-(HEXAHYDR0-LH-AZEPIN-L-YL) PROPYL ] OXY} PHENYL) BUTYL] -2-PYRROLIDINYL}METHYL) -1 (2H) - PHTHALAZ INONE GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed