SCHEMBL13655487

SCHEMBL13655487

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)CC)cc3)cc2C(=O)OCCCCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
NPC1 O15118 3/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 5/20 0.46
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
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL3192599 0.96 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14500157 0.96 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13768006 0.95 NPC1 (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL497301 0.94 MAPT (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL18589724 0.93 NPC1 (0.46) NPC1LMNANFKB1NFKB2RELA
SCHEMBL4333685 0.93 NPC1 (0.46) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13100040 0.91 LMNA (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL815840 0.91 HTT (0.44) HTTNPC1LMNANFKB1NFKB2
SCHEMBL12731853 0.91 HTT (0.44) HTTNPC1LMNANFKB1NFKB2
SCHEMBL12731850 0.91 HTT (0.44) HTTNPC1LMNANFKB1NFKB2

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-20090252890-A1 METHOD FOR PRODUCING ANISOTROPIC FILM NITTO DENKO CORPORATION (JP) 2009-10-08 US disclosed