SCHEMBL29216754

SCHEMBL29216754

OCc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
PDCD1 Q15116 4/20 0.39
CD274 Q9NZQ7 4/20 0.39
TSHR P16473 1/20 0.39
CHEK1 O14757 2/20 0.37
PRF1 P14222 1/20 0.37
ACHE P22303 1/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PDK2 Q15119 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL27817347 0.87 PNMT (0.46) PNMTAPPSNCANPC1RAB9A
SCHEMBL27343315 0.86 PNMT (0.62) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28013145 0.85 PNMT (0.45) PNMTAPPSNCANPC1RAB9A
SCHEMBL27835854 0.85 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27969223 0.85 PNMT (0.47) PNMTAPPSNCANPC1RAB9A
SCHEMBL28485994 0.83 ABCC4 (0.53) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL441982 0.82 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28928665 0.82 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29401802 0.81 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL70992 0.81 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457415-A Thermoplastic resin and optical member comprising the same 帝人株式会社 2023-07-18 CN disclosed