SCHEMBL28212640

SCHEMBL28212640

Nc1ccc(-c2ccc(N)cc2Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
PTGS2 P35354 2/20 0.41
BLM P54132 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
KDR P35968 2/20 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
SCHEMBL28416660 0.85 ALDH1A1 (0.54) ALDH1A1HTTNCOA1NCOA3PTGDR2
SCHEMBL28409341 0.82 NCOA1 (0.54) ALDH1A1HTTNCOA1NCOA3PTGDR2
SCHEMBL28663816 0.80 PYGL (0.48) ALDH1A1NCOA1NCOA3KDM4ETDP1
SCHEMBL9247694 0.79 HTT (0.61) ALDH1A1HTTNCOA1NCOA3KDM4E
SCHEMBL28036174 0.78 HTT (0.54) ALDH1A1HTTPTGDR2KDM4EHPGD
SCHEMBL7125583 0.78 CTNNB1 (0.61) ALDH1A1HTTNCOA1NCOA3KDM4E
SCHEMBL31326230 0.77 PTPRC (0.47) ALDH1A1HTTNCOA1PTGDR2KDM4E
SCHEMBL29682980 0.77 HTT (0.77) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL446113 0.77 HTT (0.77) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL28038480 0.77 NCOA1 (0.54) NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003450-A NVH foaming pieces are used for the expanded beads of the foaming piece 浙江杰上杰新材料有限公司 2018-05-08 CN disclosed