SCHEMBL8006957

SCHEMBL8006957

CCCCCCCCCCc1cnc(-c2ccc(CCCCCCOCC(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 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RARB P10826 3/20 0.43
CES1 P23141 1/20 0.35
NPC1 O15118 3/20 0.35
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL7154525 1.00 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7063045 1.00 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7067932 0.98 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7066465 0.98 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7067045 0.94 RAB9A (0.44) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7089855 0.94 RARB (0.42) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7157202 0.94 RARB (0.42) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7095195 0.94 RARB (0.41) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7067890 0.93 RAB9A (0.42) SMN1; SMN2RAB9AMAPTMEN1USP2
SCHEMBL7067948 0.93 RAB9A (0.42) SMN1; SMN2RAB9AMAPTMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973844-A1 COMPOUNDS AND PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-01-26 EP disclosed
US-5855812-A ALIPHATIC FLUOROCARBON TERMINAL PORTION COMPRISING A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP AND AN ALKYLENE GROUP HAVING AT LEAST TWO CARBON ATOMS AND CONTAINING AT LEAST ONE CATENARY ETHER OXYGEN ATOM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-05 US disclosed
WO-1998046697-A1 COMPOUNDS AND PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-22 WO disclosed