SCHEMBL20709646

SCHEMBL20709646

C=CC(=O)CCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc(CC(=O)C=C)cc4)cc3CC)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
HDAC1 Q13547 2/20 0.36
LTB4R Q15722 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HGFAC Q04756 1/20 0.34
FFAR1 O14842 1/20 0.34
KMT2A Q03164 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
SCHEMBL20709680 0.92 NPC1 (0.40) THRAHDAC1NPC1LMNANFKB1
SCHEMBL23322555 0.84 THRA (0.39) THRAHDAC1LTB4RNPC1LMNA
SCHEMBL816966 0.83 NPC1 (0.40) THRANPC1LMNANFKB1NFKB2
SCHEMBL15398137 0.83 THRA (0.41) THRANPC1LMNANFKB1NFKB2
SCHEMBL815903 0.82 NPC1 (0.41) THRANPC1LMNANFKB1NFKB2
SCHEMBL816039 0.82 NPC1 (0.41) THRANPC1LMNANFKB1NFKB2
SCHEMBL12733655 0.81 THRA (0.39) THRAMAPTKMT2A
SCHEMBL12604071 0.81 NPC1 (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12604133 0.80 THRA (0.38) THRANPC1LMNANFKB1NFKB2
SCHEMBL15398086 0.80 NPC1 (0.39) NPC1LMNANFKB1NFKB2RELA

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
EP-3438134-A1 POLYMERIZABLE COMPOSITION, CURED OBJECT, OPTICAL FILM FOR DISPLAY, AND PROCESS FOR PRODUCING CURED OBJECT Adeka Corporation (JP) 2019-02-06 EP disclosed