SCHEMBL28629680

SCHEMBL28629680

CCC(C)(CN)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
PRKCQ Q04759 5/20 0.44
TAAR1 Q96RJ0 2/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35

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
SCHEMBL7042553 0.81 LMNA (0.43) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7042554 0.81 LMNA (0.43) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27304946 0.80 LMNA (0.42) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2675245 0.80 CA1 (0.45) KIF11PRKCQTAAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL16007841 0.77 TAAR1 (0.57) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28622014 0.76 TSHR (0.46) KIF11PRKCQTAAR1ACHEHPGD
SCHEMBL11067456 0.76 ACHE (0.46) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28607003 0.76 KIF11 (0.43) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8443853 0.76 ACHE (0.50) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15552784 0.75 KIF11 (0.50) KIF11CYP3A4CYP2D6CYP2C9CYP2C19

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-115304075-B NON molecular sieve, preparation method and application thereof 中国石油化工股份有限公司 2023-08-08 CN disclosed
CN-115304075-A NON molecular sieve, preparation method and application thereof 中国石油化工股份有限公司 2022-11-08 CN disclosed
CN-112573534-B NON type molecular sieve and preparation method and application thereof 中国石油化工股份有限公司 2022-07-12 CN disclosed
CN-112573534-A NON type molecular sieve and preparation method and application thereof 中国石油化工股份有限公司 2021-03-30 CN disclosed