SCHEMBL9336606

SCHEMBL9336606

CCCCCCCCCCOc1ccc(-c2ncc(OC(=O)OCCCCCCCC)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.56
NPC1 O15118 8/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 4/20 0.53
MAPT P10636 4/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 1/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL9336554 1.00 RARB (0.56) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7648023 1.00 RARB (0.56) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7781055 0.91 NR5A1 (0.49) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7781102 0.89 MAPT (0.46) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9357345 0.89 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7780382 0.89 RARB (0.47) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11287879 0.88 KDM4E (0.55) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9357326 0.87 RARB (0.51) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9338933 0.86 RARB (0.62) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9335226 0.86 RARB (0.62) RARBNPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1193255-A None JP disclosed
EP-0285395-B1 Phenyl-pyrimidine liquid crystal compounds and liquid crystal compositions containing the same AJINOMOTO KK (JP) 1994-05-11 EP disclosed
US-4874542-A DISPLAY CELL AJINOMOTO CO., INC. (JP) 1989-10-17 US disclosed
JP-H01193255-A LIQUID CRYSTAL AJINOMOTO CO INC 1989-08-03 JP disclosed
EP-0285395-A1 Phenyl-pyrimidine liquid crystal compounds and liquid crystal compositions containing the same AJINOMOTO CO., INC. (JP) 1988-10-05 EP disclosed