SCHEMBL28674514

SCHEMBL28674514

CCN(CC)Nc1ccccc1C(=O)OCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ TSHR P16473 7/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ADRA1D P25100 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 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
SCHEMBL4858499 0.82 KDM4E (0.58) KDM4EALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL204946 0.80 TSHR (0.67) KDM4EALDH1A1TSHRTDP1L3MBTL1
SCHEMBL29754649 0.80 TSHR (0.67) KDM4EALDH1A1TSHRTDP1L3MBTL1
SCHEMBL7805586 0.77 ALDH1A1 (0.77) KDM4EALDH1A1TSHRTDP1L3MBTL1
SCHEMBL27189850 0.77 TSHR (0.70) KDM4EALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL815233 0.77 ALDH1A1 (0.49) ALDH1A1TSHRSLC22A1TDP1L3MBTL1
SCHEMBL10552718 0.75 KDM4E (0.49) KDM4EALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL17978239 0.74 TDP1 (0.67) KDM4EALDH1A1TSHRTDP1L3MBTL1
SCHEMBL3014742 0.74 TSHR (0.62) KDM4EALDH1A1TSHRTDP1L3MBTL1
SCHEMBL113328 0.74 TDP1 (0.67) KDM4EALDH1A1TSHRTDP1L3MBTL1

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-113825810-A Active energy ray-curable ink for lithographic printing, and method for producing printed matter using same 东丽株式会社 2021-12-21 — — CN disclosed
CN-113825809-A Printing ink, method for producing printed matter using same, and printed matter 东丽株式会社 2021-12-21 — — CN disclosed
Send feedback