SCHEMBL7108491

SCHEMBL7108491

CCCCCCCc1cnc(-c2ccc(OCCCOCC(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 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PLA2G2A P14555 5/20 0.34
PLA2G10 O15496 2/20 0.34
PLA2G1B P04054 2/20 0.34
PLA2G5 P39877 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
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
SCHEMBL7108487 1.00 RARB (0.38) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6972634 0.94 RARB (0.39) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6977745 0.94 RARB (0.39) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6901871 0.94 RARB (0.39) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6901873 0.94 RARB (0.39) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6972630 0.94 RARB (0.39) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6977908 0.93 RARB (0.38) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6977917 0.93 RARB (0.38) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL7106010 0.93 RARB (0.37) RARBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL7106009 0.93 RARB (0.37) RARBRAB9ASMN1; SMN2NPC1KDM4E

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
EP-1042302-B1 LIQUID CRYSTAL COMPOUNDS HAVING A CHIRAL FLUORINATED TERMINAL PORTION MINNESOTA MINING & MFG (US) 2003-09-24 EP disclosed
US-6309561-B1 Liquid crystal compounds having a chiral fluorinated terminal portion 3M INNOVATIVE PROPERTIES COMPANY 2001-10-30 US disclosed