SCHEMBL4424910

SCHEMBL4424910

CCC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1CCCCCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
VCAM1 P19320 9/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 2/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.32
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC9 Q9UKV0 3/20 0.31
HDAC5 Q9UQL6 3/20 0.31
LMNA P02545 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
SCHEMBL29367920 0.90 ALOX5 (0.39) VCAM1NPSR1GAAXBP1ATM
SCHEMBL28425957 0.90 ALOX5 (0.39) VCAM1NPSR1GAAXBP1ATM
SCHEMBL28701034 0.90 ALOX5 (0.39) VCAM1NPSR1GAAXBP1ATM
SCHEMBL526572 0.90 ALOX5 (0.39) VCAM1NPSR1GAAXBP1ATM
Butylated Hydroxytoluene SCHEMBL10750388 0.85 SMN1; SMN2 (0.40) VCAM1GAAKMT2APOLBCYP2C9
SCHEMBL6831250 0.84 ALOX5 (0.35) VCAM1NPSR1GAAXBP1ATM
SCHEMBL465534 0.81 VCAM1 (0.36) ALOX15VCAM1GAAACHELMNA
SCHEMBL28518606 0.81 VCAM1 (0.32) ALOX15VCAM1GAAACHELMNA
SCHEMBL27629697 0.81 ALOX5 (0.38) VCAM1NPSR1GAAXBP1ATM
SCHEMBL11546055 0.80 ALOX5 (0.39) NPSR1GAAXBP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487341-A Preparation of compact thermoplastic polyurethane and porous structure particles thereof 浙江华峰热塑性聚氨酯有限公司 2024-02-02 CN disclosed
CN-110305366-B Antioxidant stabilizer composition and modified butadiene rubber 山东省临沂市三丰化工有限公司 2021-03-12 CN disclosed
EP-2036946-B1 Radiation resistant resin composition and radiation-proof wire/cable FUJIKURA LTD (JP) 2015-06-17 EP disclosed
EP-2036946-A1 Radiation resistant resin composition and radiation-proof wire/cable FUJIKURA LTD. (JP) 2009-03-18 EP disclosed