SCHEMBL28544688

SCHEMBL28544688

CC(CC(=O)OC1CCCCC1)OC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
SCN1A P35498 1/20 0.64
SCN2A Q99250 1/20 0.64
SCN3A Q9NY46 1/20 0.64
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL28278025 0.87 LMNA (0.62) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL28537079 0.85 LMNA (0.52) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL25920617 0.78 LMNA (0.56) LMNACYP1A2CYP2D6SCN1ASCN2A
Hexylcaine SCHEMBL34238 0.78 LMNA (1.00) LMNACYP1A2CYP2D6SCN1ASCN2A
Hexylcaine SCHEMBL1645996 0.78 LMNA (1.00) LMNACYP1A2CYP2D6SCN1ASCN2A
Hexylcaine SCHEMBL34239 0.78 LMNA (1.00) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL7666109 0.78 LMNA (0.47) LMNACYP1A2CYP2D6SCN1ASCN2A
Hexylcaine SCHEMBL24192 0.77 LMNA (0.97) LMNACYP1A2CYP2D6SCN1ASCN2A
Hexylcaine SCHEMBL24194 0.77 LMNA (0.97) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL29302944 0.77 LMNA (0.54) LMNACYP1A2CYP2D6SCN1ASCN2A

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-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed