SCHEMBL19600626

SCHEMBL19600626

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCCCC)cc3)c(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.52
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
THRA P10827 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL17549441 0.99 THRB (0.53) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL14000686 0.96 THRB (0.45) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL22430188 0.96 THRB (0.45) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855601 0.95 THRB (0.54) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855640 0.95 THRB (0.54) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855638 0.95 THRB (0.54) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855566 0.95 THRB (0.54) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855568 0.95 THRB (0.54) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL13476095 0.95 NPC1 (0.50) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL15855603 0.94 THRB (0.55) THRBNPC1LMNASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170329063-A1 OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-11-16 US disclosed