SCHEMBL8620428

SCHEMBL8620428

CON=C(C)C(=O)Oc1ccccc1COc1cc(C)cc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.42
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8621319 0.91 HIF1A (0.48) HIF1APARP14PARP10MAOBSMN1; SMN2
SCHEMBL8621428 0.89 MAPT (0.45) HIF1APARP14PARP10MAOBL3MBTL1
SCHEMBL8623908 0.88 HIF1A (0.46) HIF1APARP14PARP10MAOBSMN1; SMN2
SCHEMBL8621226 0.86 L3MBTL1 (0.46) HIF1APARP14PARP10MAOBSMN1; SMN2
SCHEMBL8617222 0.84 CDK4 (0.44) MAOBL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL8617286 0.84 PTGDR2 (0.46) SMN1; SMN2ALDH1A1MAPTHTTMEN1
SCHEMBL8620478 0.84 MRGPRX4 (0.43) HIF1ASMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL8617305 0.83 ALDH1A1 (0.52) HIF1APARP14PARP10MAOBSMN1; SMN2
SCHEMBL8622457 0.83 L3MBTL1 (0.40) HIF1AL3MBTL1KDM4EMAPTHPGD
SCHEMBL8620420 0.83 HIF1A (0.44) HIF1APARP14PARP10SMN1; SMN2KDM4E

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