SCHEMBL8622477

SCHEMBL8622477

CON=C(C)C(=O)Oc1ccccc1COc1cccc(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HIF1A Q16665 2/20 0.38
MAOB P27338 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
SCHEMBL8617222 0.91 CDK4 (0.44) L3MBTL1TDP1MAPTCDK4CCND1
SCHEMBL8618317 0.89 PTPN1 (0.43) L3MBTL1MAPK1TDP1MAPTSMN1; SMN2
SCHEMBL8622457 0.85 L3MBTL1 (0.40) L3MBTL1MAPTCDK4CCND1TSHR
SCHEMBL8620420 0.85 HIF1A (0.44) TDP1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL8620478 0.84 MRGPRX4 (0.43) L3MBTL1MAPK1TDP1MAPTRAB9A
SCHEMBL8617286 0.84 PTGDR2 (0.46) TDP1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL8623908 0.83 HIF1A (0.46) L3MBTL1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL8621428 0.82 MAPT (0.45) L3MBTL1MAPTLMNANPC1ALDH1A1
SCHEMBL8622276 0.82 PPARD (0.43) HTR1AHIF1APTGDR2
SCHEMBL8622051 0.82 ANO1 (0.50) MAPTHIF1APTGDR2

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