SCHEMBL9345707

SCHEMBL9345707

CCCCCCCCCCc1cnc(-c2ccc(OCCCC(CCC)O[C@H]3CCCCO3)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 6/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
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
SCHEMBL9345719 1.00 RARB (0.41) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL8073111 0.86 RARB (0.38) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL8072731 0.84 RARB (0.38) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL8077960 0.81 RARB (0.40) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL7752703 0.79 RARB (0.50) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL7750429 0.79 RARB (0.50) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL7750099 0.79 RARB (0.50) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL7750055 0.79 RARB (0.50) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL7745541 0.79 RARB (0.50) RARBMEN1KMT2ARAB9ANPC1
SCHEMBL7751316 0.79 RARB (0.50) RARBMEN1KMT2ARAB9ANPC1

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