SCHEMBL9724063

SCHEMBL9724063

CCOC(=O)COCC(=O)c1ccc(OCC=C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL11131469 0.87 MAPT (0.45) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10544503 0.86 NPC1 (0.51) ALDH1A1L3MBTL1GAANPSR1MAPT
SCHEMBL9724066 0.84 MAPT (0.50) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL384028 0.79 CA12 (0.53) ALDH1A1L3MBTL1MAPTMEN1LMNA
SCHEMBL10543460 0.79 L3MBTL1 (0.50) ALDH1A1L3MBTL1GAANPSR1MAPT
SCHEMBL10544454 0.78 SMN1; SMN2 (0.53) ALDH1A1L3MBTL1GAANPSR1MAPT
SCHEMBL10540251 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAANPSR1MAPT
SCHEMBL10547122 0.77 RAB9A (0.65) ALDH1A1L3MBTL1GAAMAPTRAB9A
SCHEMBL10546420 0.77 L3MBTL1 (0.54) ALDH1A1L3MBTL1GAANPSR1NPC1
SCHEMBL8458464 0.76 PPARG (0.49) ALDH1A1L3MBTL1MAPTHPGDMEN1

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
JP-4074151-A None JP disclosed
JP-H0474151-A PRODUCTION OF PHENOXYCARBOXYLIC ACID DERIVATIVE NIPPON ZEON CO LTD 1992-03-09 JP disclosed
US-4085135-A ANTIULCER TAISHO PHARMACEUTICAL CO., LTD. (JA) 1978-04-18 US disclosed