SCHEMBL28990004

SCHEMBL28990004

CC1=C[CH]c2ccc(C)cc21.Cl[Hf]Cl

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ELANE P08246 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL28990009 0.88 MAOA (0.32) MAOAMAOBELANECYP1A2CYP2A6
SCHEMBL28249231 0.75 LMNA (0.31)
SCHEMBL5078608 0.74 MAOA (0.37) MAOAMAOBELANECYP1A2CYP2A6
SCHEMBL27517446 0.66 PGR (0.39) MAOAMAOBCYP1A2KDM4EALDH1A1
SCHEMBL27502031 0.66 MAOA (0.37) MAOAMAOBELANECYP1A2CYP2A6
SCHEMBL216842 0.64 LMNA (0.36) MAOAMAOBCYP1A2KDM4EALDH1A1
SCHEMBL714162 0.63 TDP1 (0.43) MAOAMAOBELANECYP1A2CYP2A6
SCHEMBL27389227 0.63 LMNA (0.35) MAOAMAOBCYP1A2ALDH1A1MAPT
SCHEMBL28865587 0.63 LMNA (0.31)
SCHEMBL27499719 0.63 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023532-A Preparation method of saturated metallocene poly alpha-olefin 中国石油化工股份有限公司 2023-04-28 CN claimed
CN-116023562-A Production process of poly alpha-olefin 中国石油化工股份有限公司 2023-04-28 CN claimed
CN-116020416-A Method for removing metallocene catalyst 中国石油化工股份有限公司 2023-04-28 CN claimed
CN-116023534-A Preparation method of poly alpha-olefin 中国石油化工股份有限公司 2023-04-28 CN claimed
CN-116023532-A Preparation method of saturated metallocene poly alpha-olefin 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-116023562-A Production process of poly alpha-olefin 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-116020416-A Method for removing metallocene catalyst 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-116023534-A Preparation method of poly alpha-olefin 中国石油化工股份有限公司 2023-04-28 CN disclosed