SCHEMBL14192585

SCHEMBL14192585

C=CC(=O)Cc1ccc2c(c1)Cc1cc(OC(=O)c3ccc(-c4ccc(OCCC)cc4)cc3)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 4/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MCHR1 Q99705 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
RARB P10826 3/20 0.35

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
SCHEMBL14192584 0.88 SMN1; SMN2 (0.44) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL14192538 0.79 NPC1 (0.41) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL14088441 0.79 NPC1 (0.54) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL14192561 0.78 NPC1 (0.48) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL14088430 0.78 THRB (0.43) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL14192562 0.77 NPC1 (0.47) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL14192558 0.77 KMT2A (0.44) MAPTSMN1; SMN2LMNANPC1THRB
SCHEMBL14088420 0.75 THRB (0.45) MAPTLMNANPC1THRBL3MBTL1
SCHEMBL12510604 0.74 THRB (0.44) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL13380196 0.74 THRB (0.44) MAPTSMN1; SMN2LMNANPC1CYP1A2

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-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed