SCHEMBL9345635

SCHEMBL9345635

CCCCCCCCCCCCc1cnc(-c2ccc(OCC(F)CCCCC)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.53
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 5/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
S1PR1 P21453 3/20 0.42
S1PR4 O95977 2/20 0.41

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
SCHEMBL9346251 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7752863 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7062161 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7062159 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8021050 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9367202 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8750965 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9346266 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL13028999 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9345629 1.00 RARB (0.53) RARBRAB9ASMN1; SMN2MAPTKDM4E

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-5275756-A Pyrimidine ether compounds for electrooptical elements TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-01-04 US disclosed
EP-0469893-A1 Fluorinated pyrimidine-phenyl optically active compounds and liquid crystal compositions thereof Takasago International Corporation (JP) 1992-02-05 EP disclosed