SCHEMBL18179340

SCHEMBL18179340

C=C(C)c1ccc(Oc2cccc(Oc3ccc4cc(C5(c6ccc7cc(Oc8cccc(Oc9ccc(C(=C)C)cc9)c8C#N)ccc7c6)c6ccccc6-c6ccccc65)ccc4c3)c2C#N)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
RCE1 Q9Y256 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL18179343 0.90 MAPT (0.35) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18179354 0.84 GAA (0.33) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18179329 0.82 AR (0.33) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18179356 0.82 GAA (0.33) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18179353 0.82 GAA (0.33) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18723325 0.82 ESR1 (0.33) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18712910 0.81 GAA (0.39) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18179358 0.81 PIM1 (0.37) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL16073106 0.81 AR (0.43) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL18179335 0.80 PIM1 (0.36) ESR1ESR2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9958781-B2 Method for film formation, and pattern-forming method JSR CORPORATION (JP) 2018-05-01 US disclosed
US-9620378-B1 Composition for film formation, film, production method of patterned substrate, and compound JSR CORPORATION (JP) 2017-04-11 US disclosed
US-9620378-B1 Composition for film formation, film, production method of patterned substrate, and compound JSR CORPORATION (JP) 2017-04-11 US disclosed
US-20160314984-A1 METHOD FOR FILM FORMATION, AND PATTERN-FORMING METHOD JSR CORPORATION (JP) 2016-10-27 US disclosed
US-20160314984-A1 METHOD FOR FILM FORMATION, AND PATTERN-FORMING METHOD JSR CORPORATION (JP) 2016-10-27 US disclosed