SCHEMBL455333

SCHEMBL455333

CC(C)(C)c1ccc(-c2ccc3c(c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)-c2c(-c4ccc(C(C)(C)C)cc4C(C)(C)C)c(-c4ccc(C(C)(C)C)cc4C(C)(C)C)c(P(=O)(O)O)c(P(=O)(O)O)c2-3)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PTPN5 P54829 1/20 0.32
PKM P14618 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9417600 0.89
SCHEMBL15124828 0.80 CYP1A2 (0.39) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL202530 0.79 PTPN5 (0.33) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL919405 0.78 ALDH1A1 (0.33) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL10622466 0.78 PTPN5 (0.35) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL9417593 0.77 NPC1 (0.41) ALDH1A1NPC1RAB9APLA2G1BNFKB1
Phosphoric Acid SCHEMBL8431601 0.75 PTPN5 (0.41) ALDH1A1NPC1RAB9APLA2G1BNFKB1
Phosphoric Acid SCHEMBL8431599 0.75 PTPN5 (0.41) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL18493505 0.73 PTPN5 (0.39) ALDH1A1NPC1RAB9APLA2G1BNFKB1
Phosphoric Acid SCHEMBL8160502 0.72 ALDH1A1 (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342869-A Monophosphonate, diphosphonate, phosphonate-phosphonite stabilizers against weathering SANDOZ LTD. (CH) 1994-08-30 US claimed
US-20120065306-A1 LONG-FIBER REINFORCED RESIN COMPOSITION AND MOLDED OBJECT THEREOF PRIME POLYMER CO., LTD. (JP) 2012-03-15 US disclosed
US-20050106348-A1 Wire-protective tube YAZAKI CORPORATION 2005-05-19 US disclosed
US-6852921-B1 Wire-protective tube YAZAKI CORPORATION (JP) 2005-02-08 US disclosed
US-5342869-A Monophosphonate, diphosphonate, phosphonate-phosphonite stabilizers against weathering SANDOZ LTD. (CH) 1994-08-30 US disclosed