SCHEMBL6658987

SCHEMBL6658987

CC1=CCC(c2cc(C(C)(C)C)cc3c2[CH]c2ccc(C(C)(C)C)cc2-3)=C1

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL3683973 0.81 NPC1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6238288 0.79 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27811867 0.77 ALDH1A1 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL12473619 0.73 NPC1 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL344810 0.71 ALDH1A1 (0.47) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL3211073 0.70 NPC1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL3190959 0.69 TDP1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL28502707 0.69 ALDH1A1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL26071407 0.69 ALDH1A1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27845457 0.69 ALDH1A1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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-1169356-B1 POLYOLEFIN PRODUCTION ATOFINA RES (BE) 2004-07-14 EP disclosed