SCHEMBL17002607

SCHEMBL17002607

O=C1C2=C(C(=O)N1c1ccccc1)C(CO)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 3/20 0.40
TSHR P16473 2/20 0.40
MT-CO2 P00403 3/20 0.38
ALOX5 P09917 3/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
ACHE P22303 1/20 0.36
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL44667 0.73 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRALOX5MEN1
SCHEMBL9815077 0.68 ALOX15 (0.46) ALDH1A1ALOX15TSHRALOX5POLB
SCHEMBL9275777 0.63
SCHEMBL17501944 0.63 GRIN2B (0.42) ALDH1A1ALOX15TSHRMT-CO2ALOX5
SCHEMBL17501946 0.63 GRIN2B (0.42) ALDH1A1ALOX15TSHRMT-CO2ALOX5
SCHEMBL16280099 0.62 MGLL (0.62) ALDH1A1MEN1KMT2ANPSR1ESR1
SCHEMBL8593150 0.62 MEN1 (0.38) ALDH1A1ALOX15TSHRMT-CO2ALOX5
SCHEMBL14620425 0.62 MT-CO2 (0.46) ALDH1A1ALOX15TSHRMT-CO2ALOX5
SCHEMBL28849120 0.62 ROCK2 (0.46) POLBMEN1KMT2A
SCHEMBL22369620 0.61 ALDH1A1 (0.64) ALDH1A1ALOX15TSHRALOX5MEN1

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-3225644-A1 CURABLE RESIN COMPOSITION, AND CURED PRODUCT THEREOF Daicel Corporation (JP) 2017-10-04 EP disclosed
US-20150232620-A1 CURABLE RESIN COMPOSITION, AND CURED PRODUCT THEREOF DAICEL CORPORATION (JP) 2015-08-20 US disclosed
EP-2907833-A1 CURABLE RESIN COMPOSITION, AND CURED PRODUCT THEREOF Daicel Corporation (JP) 2015-08-19 EP disclosed