SCHEMBL28967691

SCHEMBL28967691

O=C(Oc1nccc2ccccc12)[C@H](O)c1ccccc1.[H+]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.44
▸ FFAR1 O14842 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ GOPC Q9HD26 1/20 0.37

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
SCHEMBL761986 0.80 KLK5 (0.50) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL28198079 0.79 KLK5 (0.49) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL4353465 0.78 KLK5 (0.51) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL28114917 0.77 FFAR1 (0.42) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL27220785 0.77 KLK5 (0.53) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL28855596 0.76 KLK5 (0.47) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL2230387 0.75 KLK5 (0.49) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL5716801 0.75 KLK5 (0.49) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL523707 0.75 KLK5 (0.49) LMNANCOA3KLK5FFAR1NPC1
SCHEMBL231952 0.74 KLK5 (0.51) LMNANCOA3KLK5FFAR1NPC1

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-110627672-B Preparation method of dimemorfan phosphate and intermediate thereof 广东东阳光药业有限公司 2023-01-31 — — CN disclosed
Send feedback