SCHEMBL2355826

SCHEMBL2355826

CC(C)(C)c1ccc(-c2ccc(OP(O)O)c(C(C)(C)C)c2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.33
EGFR P00533 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYR P14679 1/20 0.32
DGAT1 O75907 1/20 0.31
SLC6A2 P23975 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
HDAC1 Q13547 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL3802450 0.88 KIF11 (0.34) KIF11EGFRAKR1C3AKR1C2NPC1
SCHEMBL30656907 0.88 KIF11 (0.34) KIF11EGFRAKR1C3AKR1C2NPC1
SCHEMBL28209977 0.85 KIF11 (0.33) KIF11LMNATYRSLC6A2HDAC1
SCHEMBL29852649 0.84 SLC6A2 (0.33) KIF11EGFRAKR1C3AKR1C2NPC1
SCHEMBL562077 0.84 SLC6A2 (0.33) KIF11EGFRAKR1C3AKR1C2NPC1
SCHEMBL1160379 0.81 NPC1 (0.33) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL31377054 0.78 EGFR (0.37) KIF11EGFRAKR1C3AKR1C2NPC1
SCHEMBL562692 0.77 KIF11 (0.33) KIF11LMNATYRSLC6A2HDAC1
SCHEMBL562252 0.76 ALDH1A1 (0.31)
SCHEMBL14837113 0.72 EGFR (0.33) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008384-B2 Liquid butylaryl phosphite compositions CHEMTURA CORPORATION (US) 2011-08-30 US disclosed
US-20100190900-A1 LIQUID BUTYLARYL PHOSPHITE COMPOSITIONS CHEMTURA CORPORATION (US) 2010-07-29 US disclosed