SCHEMBL28113750

SCHEMBL28113750

CC(C)(C)c1ccc2c(c1)-c1cccc(C(C)(C)C)c1[CH]2.[Zr]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL215708 0.98 ALDH1A1 (0.42) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL27657380 0.97 ALDH1A1 (0.41) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL27608647 0.92 ALDH1A1 (0.38) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL27608651 0.92 ALDH1A1 (0.38) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL28623994 0.85 ALDH1A1 (0.42) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL726454 0.79 CA2 (0.40) ALDH1A1CA2TDP1KIF11PTPN5
SCHEMBL27486458 0.78 ALDH1A1 (0.45) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL344810 0.76 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL2047275 0.76 CA2 (0.48) ALDH1A1CA2TDP1KIF11PTPN5
SCHEMBL2051686 0.75 ALDH1A1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101018815-B Multiple catalyst and reactor system for olefin polymerization and polymers produced thereby EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-11-30 CN disclosed