SCHEMBL1898775

SCHEMBL1898775

CC(C)(C)c1ccc(-c2[c]ccc(-c3ccccc3)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
GPR84 Q9NQS5 1/20 0.31
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL18059798 0.89 ALDH1A1 (0.30) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1902139 0.89 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1537930 0.89 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL105740 0.89 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1898678 0.83 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1242637 0.83 ALDH1A1 (0.35) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL5080716 0.79 NPC1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1901590 0.78 ALDH1A1 (0.41) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL7067289 0.76 NPC1 (0.46) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30524348 0.76 NPC1 (0.46) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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
EP-2319887-A1 METHOD FOR MANUFACTURING MOLDED ARTICLE Teijin Chemicals, Ltd. (JP) 2011-05-11 EP disclosed
EP-1635196-A1 DIRECT BACK LIGHT TYPE LIQUID CRYSTAL DISPLAY AND LIGHT DIFFUSE PLATE Teijin Chemicals, Ltd. (JP) 2006-03-15 EP disclosed