SCHEMBL9568783

SCHEMBL9568783

C=CCCOC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 4/20 0.43
ESR1 P03372 3/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.43
TP53 P04637 1/20 0.43
ESR2 Q92731 1/20 0.42
SNCA P37840 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 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
SCHEMBL9568779 0.93 ESR1 (0.48) ALDH1A1L3MBTL1TDP1MAPTLMNA
SCHEMBL5325886 0.88 ALDH1A1 (0.62) ALDH1A1L3MBTL1HTTTDP1MAPT
SCHEMBL529612 0.87 TDP1 (0.63) ALDH1A1L3MBTL1TDP1LMNATSHR
SCHEMBL24370968 0.84 GAA (0.54) ALDH1A1L3MBTL1TDP1MAPTTSHR
SCHEMBL29110130 0.84 SNCA (0.48) ALDH1A1L3MBTL1TDP1MAPTLMNA
SCHEMBL31571905 0.84 HPGD (0.49) ALDH1A1L3MBTL1TDP1MAPTLMNA
SCHEMBL2833613 0.84 KMT2A (0.45) ALDH1A1L3MBTL1TDP1MAPTLMNA
SCHEMBL13758161 0.84 TRPV1 (0.49) ALDH1A1TDP1MAPTLMNATSHR
SCHEMBL31571906 0.83 TSHR (0.49) ALDH1A1TDP1MAPTLMNATSHR
SCHEMBL24789585 0.83 ESR1 (0.47) ALDH1A1L3MBTL1TDP1MAPTLMNA

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-5286904-A None JP disclosed
WO-2021070928-A1 BLOOD TREATMENT FILTER AND METHOD FOR MANUFACTURING SAME, AND LEUKOCYTE REMOVAL METHOD 旭化成メディカル株式会社 2021-04-15 WO disclosed
JP-H05286904-A PRODUCTION OF ALLYL ESTERS DAISO CO LTD 1993-11-02 JP disclosed