SCHEMBL6905248

SCHEMBL6905248

CCCCCCOc1cnc(-c2ccc(CCCC[C@H](F)COCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RARB P10826 1/20 0.33
PLA2G4A P47712 1/20 0.33
S1PR4 O95977 6/20 0.32
S1PR1 P21453 6/20 0.32
S1PR3 Q99500 6/20 0.32
S1PR5 Q9H228 6/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 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
SCHEMBL6905259 1.00 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AKDM4EMEN1USP2
SCHEMBL7106010 0.94 RARB (0.37) SMN1; SMN2RAB9AKDM4EMEN1USP2
SCHEMBL7106009 0.94 RARB (0.37) SMN1; SMN2RAB9AKDM4EMEN1USP2
SCHEMBL7107942 0.93 NPC1 (0.38) SMN1; SMN2RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7107943 0.93 NPC1 (0.38) SMN1; SMN2RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7108665 0.90 NPC1 (0.38) SMN1; SMN2RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7108664 0.90 NPC1 (0.38) SMN1; SMN2RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7067045 0.90 RAB9A (0.44) SMN1; SMN2RAB9AKDM4EMEN1USP2
SCHEMBL6979348 0.88 NPC1 (0.34) SMN1; SMN2RAB9AKDM4EHSD17B10MAPT
SCHEMBL6979343 0.88 NPC1 (0.34) SMN1; SMN2RAB9AKDM4EHSD17B10MAPT

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
EP-1131270-B1 PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE 3M INNOVATIVE PROPERTIES CO (US) 2004-04-07 EP disclosed
EP-1131270-A1 PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE 3M Innovative Properties Company (US) 2001-09-12 EP disclosed
US-6248889-B1 FORMING MIXTURE COMPRISING AT LEAST ONE FLUORINATED, SATURATED ALIPHATIC OR ALICYCLIC SULFONYL FLUORIDE AND AT LEAST ONE PRIMARY OR SECONDARY ALCOHOL, ADDING MOLAR EXCESS OF STRONG, APROTIC, NON-NUCLEOPHILIC HINERED ORGANIC BASE 3M INNOVATIVE PROPERTIES COMPANY 2001-06-19 US disclosed
WO-2000031003-A1 PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-06-02 WO disclosed