SCHEMBL7952166

SCHEMBL7952166

CCC(C)(C)c1ccc(OP(O)OF)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HRH3 Q9Y5N1 15/20 0.39
MAOB P27338 10/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29895646 0.90 NPC1 (0.53) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL7952163 0.83 NPC1 (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL3688238 0.82 NPC1 (0.53) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL7952161 0.79 NPC1 (0.53) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL7942235 0.78 VDR (0.40) NPC1RAB9AMAPT
SCHEMBL561194 0.78 NPC1 (0.56) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL7954069 0.77 MAPK1 (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL27871281 0.76 MAPK1 (0.49) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL9377006 0.74 CYP3A4 (0.57) MAPTHRH3TDP1
SCHEMBL10413331 0.72 ACHE (0.41) NPC1RAB9AMAPTPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed