SCHEMBL103708

SCHEMBL103708

C=Cc1ccc(CCC(=O)Oc2ccc(C(=O)Oc3ccc(OCOc4ccc(C)cc4)c(C)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.41
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.37
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CCR5 P51681 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
SCHEMBL103549 0.91 MAPT (0.40) AKR1C3MAPTKMT2ASMN1; SMN2
SCHEMBL102853 0.86 TDP1 (0.39) MAPTL3MBTL1NPC1TDP1KMT2A
SCHEMBL14192464 0.83 ALDH1A1 (0.38) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL13774490 0.82 KMT2A (0.42) MAPTL3MBTL1NPC1TDP1KMT2A
SCHEMBL14590324 0.81 KMT2A (0.51) MAPTL3MBTL1NPC1TDP1KMT2A
SCHEMBL12723880 0.80 THRB (0.42) AKR1C3MAPTL3MBTL1TDP1KMT2A
SCHEMBL14590331 0.78 KMT2A (0.45) MAPTL3MBTL1NPC1TDP1KMT2A
SCHEMBL16812834 0.78 KDM4E (0.44) MAPTKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL14132606 0.78 THRB (0.40) MAPTL3MBTL1NPC1TDP1KMT2A
SCHEMBL20251166 0.77 MAPT (0.50) MAPTL3MBTL1NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed