SCHEMBL28280244

SCHEMBL28280244

CCCOC(=O)c1cccc(CCC)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
HSD17B10 Q99714 5/20 0.50
TSHR P16473 8/20 0.49
TDP1 Q9NUW8 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL28280208 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL27695577 0.88 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL28713815 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL16154027 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL28280190 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRL3MBTL1KDM4E
SCHEMBL6545714 0.84 ALDH1A1 (0.73) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL28147567 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL27555753 0.83 ALDH1A1 (0.66) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL19994754 0.81 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRTDP1L3MBTL1
SCHEMBL29162691 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed