SCHEMBL3683973

SCHEMBL3683973

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(C3=CC(c4ccccc4)=CC3)c1[CH]2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL3690119 0.81 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6658987 0.81 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL3680262 0.76
SCHEMBL6238288 0.74 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27811867 0.69 ALDH1A1 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL344810 0.66 ALDH1A1 (0.47) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL12473619 0.66 NPC1 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL2051686 0.66 ALDH1A1 (0.53) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL28502707 0.65 ALDH1A1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL1028408 0.65 SIGMAR1 (0.39) NPC1ALDH1A1RAB9A

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
EP-1985638-B1 Propylene copolymer, polypropylene composition, use thereof, transition metal compounds, and catalysts for olefin polymerization MITSUI CHEMICALS INC (JP) 2010-02-17 EP disclosed