SCHEMBL28360773

SCHEMBL28360773

CCCCCCCCCCCCCCCCCCc1c(C)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.42
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 2/20 0.41
TYR P14679 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 5/20 0.40
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP3A4 P08684 3/20 0.38
LMNA P02545 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL30464707 1.00 ALOX5 (0.42) ALOX5CYP2C19CYP2C9CYP1A2TYR
SCHEMBL6065585 0.93 CYP2C19 (0.43) CYP2C19CYP2C9CYP1A2TYRSMN1; SMN2
SCHEMBL688310 0.90 ALOX5 (0.42) ALOX5CYP2C19CYP2C9CYP1A2TYR
SCHEMBL28426211 0.89 ALOX5 (0.44) ALOX5CYP1A2TYRSMN1; SMN2CA2
SCHEMBL7706320 0.89 ALOX5 (0.44) ALOX5CYP1A2TYRSMN1; SMN2CA2
SCHEMBL31169458 0.86 HSPA5 (0.40) ALOX5CYP2C19CYP2C9TYRSMN1; SMN2
SCHEMBL7934245 0.84 SMN1; SMN2 (0.38) ALOX5CYP2C19CYP2C9CYP1A2TYR
SCHEMBL11140066 0.83 ALOX5 (0.50) ALOX5CYP2C19CYP2C9CYP1A2TYR
SCHEMBL226460 0.83 KAT8 (0.45) NR5A2NR5A1
SCHEMBL205695 0.83 KAT8 (0.45) NR5A2NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118272146-A Multifunctional lubricating grease for reducing fretting wear 天津大学 2024-07-02 CN claimed
CN-113748189-B Lubricating oil composition for transmission, method for producing same, and lubrication method and transmission using same 出光兴产株式会社 2024-02-27 CN disclosed
CN-117285897-A Epoxy resin sealant and preparation method and application thereof 江苏中科科化新材料股份有限公司 2023-12-26 CN disclosed
CN-116391016-A Lubricating oil composition 出光兴产株式会社 2023-07-04 CN disclosed
CN-113242866-B Binder composition for all-solid secondary battery 日本瑞翁株式会社 2023-06-09 CN disclosed
CN-111040101-B Polyisocyanate having stable color number and containing uretdione group and preparation method thereof 万华化学集团股份有限公司 2021-09-07 CN disclosed
CN-110372846-B Preparation method of polyisocyanate with stable color value and containing uretdione group 万华化学集团股份有限公司 2021-06-25 CN disclosed
CN-110305294-B Preparation method of storage-stable polyisocyanate containing uretdione group 万华化学集团股份有限公司 2021-04-20 CN disclosed
CN-111040101-A Polyisocyanate having stable color number and containing uretdione group and preparation method thereof 万华化学集团股份有限公司 2020-04-21 CN disclosed
CN-110734647-A Thermoplastic elastomer composition, plug and container 旭化成株式会社 2020-01-31 CN disclosed