SCHEMBL7733912

SCHEMBL7733912

CC(=O)Oc1c(C(C)(C)C)cc(Cc2nc3cc(Cl)cc(C#CCO)c3o2)cc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL7679979 0.86 DHFR (0.34) NPC1RAB9A
SCHEMBL7737540 0.76 MAPT (0.44) NPC1
SCHEMBL8324863 0.72 DHFR (0.33)
SCHEMBL7737446 0.71 PGK1 (0.35)
SCHEMBL7310660 0.70 DHFR (0.33)
SCHEMBL6964996 0.70 PTGDR2 (0.38) NPC1RAB9A
SCHEMBL7724886 0.69 SMN1; SMN2 (0.35) RAB9A
SCHEMBL7734791 0.68 RAB9A (0.39) NPC1RAB9A
SCHEMBL6972804 0.67 DHFR (0.38) NPC1RAB9A
SCHEMBL7733893 0.67 GAA (0.41) NPC1RAB9A

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed