SCHEMBL8621428

SCHEMBL8621428

CON=C(C)C(=O)Oc1ccccc1COc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MAOB P27338 5/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HIF1A Q16665 3/20 0.41
MAOA P21397 2/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL8623908 0.91 HIF1A (0.46) MAOBMEN1KMT2AFFAR1HIF1A
SCHEMBL8620428 0.89 HIF1A (0.42) MAPTHTTMAOBMEN1KMT2A
SCHEMBL8621226 0.87 L3MBTL1 (0.46) MAPTMAOBNPC1HIF1APARP14
SCHEMBL8621319 0.87 HIF1A (0.48) MAPTHTTMAOBKMT2AHIF1A
SCHEMBL8617222 0.85 CDK4 (0.44) MAPTMAOBKMT2AFFAR4L3MBTL1
SCHEMBL8617286 0.85 PTGDR2 (0.46) MAPTHTTNPC1MEN1KMT2A
SCHEMBL8620478 0.85 MRGPRX4 (0.43) MAPTNPC1FFAR1FFAR4HIF1A
SCHEMBL8617305 0.84 ALDH1A1 (0.52) MAPTMAOBNPC1MEN1KMT2A
SCHEMBL8619246 0.84 HIF1A (0.39) MAOBHIF1AMAOA
SCHEMBL8622457 0.84 L3MBTL1 (0.40) MAPTMEN1KMT2AHIF1AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed