SCHEMBL8620478

SCHEMBL8620478

CON=C(C)C(=O)Oc1ccccc1COc1ccc(C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
FFAR4 Q5NUL3 7/20 0.42
FFAR1 O14842 4/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8617286 0.91 PTGDR2 (0.46) PTGDR2NPC1LMNAMAPTTSHR
SCHEMBL8617222 0.89 CDK4 (0.44) FFAR4RECQLL3MBTL1PTGDR2MAPT
SCHEMBL8622051 0.89 ANO1 (0.50) MRGPRX4FFAR4FFAR1PTGDR2MAPT
SCHEMBL8617384 0.89 MRGPRX4 (0.45) MRGPRX4FFAR4FFAR1HPGDL3MBTL1
SCHEMBL8619242 0.87 HDAC8 (0.41) MRGPRX4FFAR4FFAR1HPGDL3MBTL1
SCHEMBL8621428 0.85 MAPT (0.45) FFAR4FFAR1HPGDL3MBTL1NPC1
SCHEMBL8621319 0.84 HIF1A (0.48) L3MBTL1LMNAMAPTSMN1; SMN2HIF1A
SCHEMBL8622477 0.84 L3MBTL1 (0.46) L3MBTL1PTGDR2NPC1LMNAMAPT
SCHEMBL8620428 0.84 HIF1A (0.42) HPGDL3MBTL1MAPTSMN1; SMN2HIF1A
SCHEMBL8622457 0.83 L3MBTL1 (0.40) HPGDL3MBTL1PTGDR2MAPTTSHR

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