SCHEMBL8779985

SCHEMBL8779985

OCSc1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BACE1 P56817 1/20 0.41
DPP4 P27487 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL8639269 0.83 HTR7 (0.65) HTR7ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL3785373 0.80 HTR7 (0.61) HTR7ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL6777717 0.78 POLB (0.59) HTR7HSD17B10DPP4MAPTL3MBTL1
SCHEMBL4439553 0.77 HTR7 (0.53) HTR7ALDH1A1MAPTHTTL3MBTL1
SCHEMBL1782448 0.75 HTR7 (0.50) HTR7ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL945670 0.75 HTR7 (0.50) HTR7ALDH1A1HSD17B10HPGDBCL2L1
Hydrochloric Acid SCHEMBL17633911 0.75 HTR7 (0.61) HTR7ALDH1A1HSD17B10BACE1DPP4
SCHEMBL7764950 0.75 HTR7 (0.56) HTR7ALDH1A1HPGDMAPK1MAPT
SCHEMBL11622720 0.74 HTR7 (0.59) HTR7ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL11620914 0.72 HTR7 (0.57) HTR7ALDH1A1HSD17B10HPGDBCL2L1

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
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 EP disclosed