SCHEMBL7609399

SCHEMBL7609399

Cc1cc(C(C)(C)C)[c]c2c1-c1ccc(C(C)(C)C)cc1C2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 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
SCHEMBL8854732 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4557939 0.81 NPC1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL714734 0.78 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL5437344 0.78 ALDH1A1 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6142471 0.78 POLB (0.31)
SCHEMBL4650969 0.77 ALDH1A1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL40372 0.71 ALDH1A1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29459210 0.71 ALDH1A1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL7612692 0.71 NPC1 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Lithium SCHEMBL6552341 0.69 ALDH1A1 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed
US-6072085-A COMBINING SUBSTRATE IMINE, NUCLEOPHILIC ACTIVATOR, SILANE, METAL CATALYST, WHEREIN CATALYST CATALYZES REDUCTION OF IMINE BY HYDROSILATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-06-06 US disclosed
EP-0726271-B1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM CO (US) 2000-05-24 EP disclosed
US-5670589-A COORDINATION POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-09-23 US disclosed
EP-0726271-A1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1996-08-14 EP disclosed