SCHEMBL7947574

SCHEMBL7947574

CC(C)(C)c1ccc2c(c1)[C]c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
PLA2G1B P04054 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL6504227 0.83 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8086154 0.77 ALDH1A1 (0.52) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1134700 0.74 ALDH1A1 (0.58) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1134715 0.74 ALDH1A1 (0.58) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8467570 0.72 ALDH1A1 (0.50) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29763177 0.70 ALDH1A1 (0.48) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL31411213 0.70 ALDH1A1 (0.73) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL340013 0.70 ALDH1A1 (0.73) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL2357462 0.70 ALDH1A1 (0.48) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25485236 0.68 ALDH1A1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262197-B1 AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION TARGOR GMBH (DE) 2001-07-17 US claimed
US-6262197-B1 AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION TARGOR GMBH (DE) 2001-07-17 US disclosed
EP-0739897-A1 Polynuclear metallocene compound, process for preparing it and its use as catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed