SCHEMBL29388693

SCHEMBL29388693

CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 2/20 0.47
RAB9A P51151 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
PLA2G1B P04054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL18063625 0.93 ALDH1A1 (0.42) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL4920238 0.93 ALDH1A1 (0.49) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL5080716 0.90 NPC1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL1902888 0.89 ALDH1A1 (0.49) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL228138 0.86 ALDH1A1 (0.53) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL4969211 0.86 ALDH1A1 (0.41) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL5080714 0.86 ALDH1A1 (0.57) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL28326671 0.86 ALDH1A1 (0.57) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL2357462 0.85 ALDH1A1 (0.48) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL29763177 0.85 ALDH1A1 (0.48) ALDH1A1NPC1CASP3RAB9ASENP8

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-111690305-B Electromagnetic shielding flame-retardant material for carbon fiber substrate and preparation method and application thereof 京准化工技术(上海)有限公司 2022-02-22 CN disclosed