SCHEMBL28367207

SCHEMBL28367207

CCOC(=O)c1ccccc1OC(=O)N(CC)CC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
HSD17B10 Q99714 4/20 0.55
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 2/20 0.51
LMNA P02545 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TBXAS1 P24557 1/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 3/20 0.46
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL18050811 0.94 TSHR (0.53) TSHRHSD17B10MAOBMAOAALDH1A1
SCHEMBL18050736 0.88 ALDH1A1 (0.61) TSHRHSD17B10MAOBMAOAALDH1A1
SCHEMBL18050794 0.88 TSHR (0.56) TSHRHSD17B10MAOBMAOAALDH1A1
SCHEMBL1914234 0.88 HSD17B10 (0.57) TSHRHSD17B10MAOBMAOALMNA
SCHEMBL13574614 0.88 SLC6A3 (0.59) TSHRHSD17B10MAOBMAOALMNA
SCHEMBL28366889 0.86 TSHR (0.61) TSHRHSD17B10MAOBMAOAALDH1A1
SCHEMBL18050775 0.85 TSHR (0.47) TSHRHSD17B10MAOBMAOAALDH1A1
SCHEMBL18050799 0.83 HSD17B10 (0.59) TSHRHSD17B10MAOBMAOALMNA
SCHEMBL18050812 0.82 MAOB (0.46) TSHRHSD17B10MAOBMAOALMNA
SCHEMBL1283310 0.82 TSHR (0.69) TSHRHSD17B10MAOBALDH1A1LMNA

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-107278209-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-03-10 CN disclosed