SCHEMBL8963295

SCHEMBL8963295

Cc1cccc(P(=O)(C2CCCCC2)C2CCCCC2)c1-c1c(C)cccc1P(=O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
EPHX1 P07099 1/20 0.36
LMNA P02545 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
ALOX12 P18054 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
P2RX7 Q99572 2/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL8323307 0.89 NPC1 (0.36) NPC1RAB9AEPHX1MEN1KMT2A
SCHEMBL18486592 0.86 NPC1 (0.46) NPC1RAB9AEPHX1LMNAALOX12
SCHEMBL9172166 0.77 POLL (0.40) MEN1KMT2ATSHRHTR2C
SCHEMBL24782558 0.76 NPC1 (0.39) NPC1RAB9AEPHX1LMNAMEN1
SCHEMBL17754463 0.74 OPRM1 (0.32) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL18486486 0.74 NPC1 (0.32) NPC1RAB9ALMNATAS1R3TAS1R1
SCHEMBL9177763 0.73 POLL (0.40) MEN1KMT2AHTR2C
SCHEMBL5569714 0.73 MEN1 (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14747871 0.72 NPC1 (0.44) NPC1RAB9AEPHX1LMNAMEN1
SCHEMBL22156237 0.71 MAPT (0.37) NPC1RAB9ALMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511558-B1 Process for the resolution of racemates and associates of diastereoisomers HOFFMANN LA ROCHE (CH) 1996-10-23 EP claimed
EP-0408340-B1 Ruthenium-optically active phoshine complex useful as catalyst TAKASAGO PERFUMERY CO LTD (JP) 1996-01-24 EP disclosed
EP-0408338-B1 Catalytic production of carboxylic acids and esters thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-09-27 EP disclosed
US-5334766-A Process for the resolution of racemic diphosphine oxides HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed
US-5087728-A Hydrogenating unsaturated compound using rhodium or ruthenium complex catalyst with specific diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-02-11 US disclosed
US-5021593-A Used as hydrogenation, silylation or isomerization catalysts TAKASAGO INTERNATIONAL CORPORATION (JP) 1991-06-04 US disclosed
EP-0408340-A2 Ruthenium-optically active phoshine complex useful as catalyst Takasago International Corporation (JP) 1991-01-16 EP disclosed
EP-0408338-A2 Catalytic production of carboxylic acids and esters thereof Takasago International Corporation (JP) 1991-01-16 EP disclosed
EP-0408338-A2 Catalytic production of carboxylic acids and esters thereof Takasago International Corporation (JP) 1991-01-16 EP disclosed