SCHEMBL20962170

SCHEMBL20962170

CCCCCCc1cc(C)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 4/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
HTR2A P28223 2/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
OPRM1 P35372 1/20 0.34
CYP2J2 P51589 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
SCHEMBL19074968 0.97 NPC1 (0.36) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL19320314 0.94 NPC1 (0.39) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL19996217 0.88 CNR2 (0.37) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL19996219 0.86 NPC1 (0.38) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL9921515 0.84 LPL (0.39) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL19006850 0.84 CNR2 (0.39) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL12621158 0.84 NPC1 (0.39) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL15132544 0.83 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL29971139 0.83 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2825081 0.83 ESR1 (0.42) NPC1GAANFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680945-B1 LIGHT EMITTING ELEMENT SUMITOMO CHEMICAL CO (JP) 2023-09-06 EP disclosed
EP-3522248-B1 LIGHT-EMITTING ELEMENT, AND COMPOSITION USEFUL FOR MANUFACTURING LIGHT-EMITTING ELEMENT SUMITOMO CHEMICAL CO (JP) 2023-08-09 EP disclosed
EP-3680945-A1 LIGHT EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2020-07-15 EP disclosed
EP-3478030-A1 LIGHT EMITTING ELEMENT Sumitomo Chemical Company, Limited (JP) 2019-05-01 EP disclosed