SCHEMBL7863568

SCHEMBL7863568

CCCCCCCCCCOc1cnc(-c2ccc(CCCC(OCCCCCCCC)C(F)(F)F)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
RARB P10826 9/20 0.43
NPC1 O15118 3/20 0.41
PLA2G4A P47712 1/20 0.40
RARA P10276 1/20 0.36
MTOR P42345 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL7856819 0.94 RAB9A (0.45) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860506 0.88 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8861010 0.88 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860661 0.88 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860795 0.88 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860697 0.87 RAB9A (0.48) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9126071 0.87 RAB9A (0.53) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7863597 0.86 RAB9A (0.49) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860436 0.85 RAB9A (0.48) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7867292 0.84 RAB9A (0.55) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1

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-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed