SCHEMBL28880587

SCHEMBL28880587

C=CC(=O)NC1C2CC3CC(C2)CC1(N)C3

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
F13A1 P00488 3/20 0.32
TGM1 P22735 3/20 0.32
TGM6 O95932 1/20 0.32
EPHX2 P34913 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL8221572 0.80 THRB (0.40) THRBCYP2C9EPHX2ALDH1A1TSHR
SCHEMBL6155965 0.74 LMNA (0.34) THRBEPHX2TSHR
SCHEMBL6224320 0.73 SIGMAR1 (0.33) THRBEPHX2ALDH1A1TSHR
SCHEMBL1070207 0.70 L3MBTL1 (0.52) EPHX2EPHX1
SCHEMBL6155972 0.67 SIGMAR1 (0.39)
SCHEMBL1070205 0.66 EPHX2 (0.59) THRBEPHX2ALDH1A1EPHX1
SCHEMBL28087061 0.65 THRB (0.38) THRBCYP2C9EPHX2ALDH1A1TSHR
SCHEMBL4904833 0.62 THRB (0.39) THRBCYP2C9EPHX2ALDH1A1TSHR
SCHEMBL11342798 0.62 THRB (0.44) THRBCYP2C9EPHX2ALDH1A1TSHR
SCHEMBL3371366 0.62 ALDH1A1 (0.61) TGM2EPHX2ALDH1A1TSHR

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-115160630-A Method for preparing high-water-absorption porous material based on water-induced powder crosslinking, product and application thereof 浙江大学 2022-10-11 CN disclosed