SCHEMBL28696308

SCHEMBL28696308

CCOC(=O)c1cc(C(=O)OCC)c(-c2ccc(C)cc2)nc1-c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.55
ALDH1A1 P00352 7/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 8/20 0.50
TDP1 Q9NUW8 5/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HTT P42858 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL30040702 0.87 ALDH1A1 (0.68) ALDH1A1LMNAMAPK1MAPTATM
SCHEMBL8198831 0.81 KDM4E (0.64) TARBP2ALDH1A1LMNAMAPK1MAPT
SCHEMBL18017492 0.80 CA12 (0.60) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL10379236 0.79 L3MBTL1 (0.83) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL16974078 0.78 ALDH1A1 (0.48) TARBP2ALDH1A1LMNAMAPK1MAPT
SCHEMBL11402662 0.77 TRPM8 (0.47) TARBP2ALDH1A1LMNAMAPK1MAPT
SCHEMBL20313136 0.77 TSHR (0.53) ALDH1A1LMNAMAPK1MAPTATM
SCHEMBL16351849 0.77 TSHR (0.56) TARBP2ALDH1A1LMNAMAPK1MAPT
SCHEMBL16351839 0.77 TSHR (0.56) TARBP2ALDH1A1LMNAMAPK1MAPT
SCHEMBL7328943 0.75 TSHR (0.50) TARBP2ALDH1A1LMNAMAPK1MAPT

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-114105864-A Method for synthesizing symmetrical 2,3,5, 6-tetra-substituted pyridine 温州医科大学 2022-03-01 CN disclosed