SCHEMBL2051685

SCHEMBL2051685

CC(C)(C)c1c[c]c2c(c1)-c1ccccc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL715753 0.85 ALDH1A1 (0.35) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL2046255 0.78 CYP1A2 (0.39) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL215707 0.77 NPC1 (0.32) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL716122 0.76 ESR1 (0.38) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8162708 0.74 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL3171441 0.74 ALDH1A1 (0.52) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL2051734 0.73 CYP1A2 (0.38) ALDH1A1NPC1RAB9ACASP3L3MBTL1
SCHEMBL28218466 0.73
SCHEMBL868504 0.70 ALDH1A1 (0.53) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL8858623 0.70 ALDH1A1 (0.40) ALDH1A1NPC1RAB9APLA2G1BNFKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed
US-20100093957-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2123685-A1 METHOD FOR PRODUCING BUTENE-ETHYLENE COPOLYMER Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed
US-6114556-A Metallocene compound and its use as catalyst component TARGOR GMBH (DE) 2000-09-05 US disclosed
US-5962359-A Metallocene compound and its use as catalyst component TARGOR GMBH (DE) 1999-10-05 US disclosed
EP-0723971-A2 Metallocenes and their use as catalyst component HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed