SCHEMBL28048609

SCHEMBL28048609

COC(=O)C(CC1CO1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.37
HPGD P15428 1/20 0.37
ESRRB O95718 1/20 0.37
KMT2A Q03164 3/20 0.36
CYP19A1 P11511 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL529079 0.84 MGLL (0.47) MGLLTDP1ALDH1A1
SCHEMBL1010516 0.76 TSHR (0.48) TSHRHPGDESRRBKMT2ACYP19A1
SCHEMBL27955085 0.74 ALDH1A1 (0.42) CYP3A4TDP1ALDH1A1
Toluene SCHEMBL28122791 0.72 RAB9A (0.37) KMT2AMEN1MAPTMGLLTDP1
SCHEMBL28117411 0.71 ALDH1A1 (0.42) TSHRHPGDSMN1; SMN2MGLLTDP1
SCHEMBL529078 0.71 TDP1 (0.41) MGLLTDP1ALDH1A1
SCHEMBL28038450 0.71 TDP1 (0.41) MGLLTDP1ALDH1A1
SCHEMBL1080367 0.71 HTT (0.41) HPGDKMT2AMEN1SMN1; SMN2MGLL
SCHEMBL88384 0.71 ALDH1A1 (0.51) MGLLTDP1ALDH1A1
SCHEMBL6131978 0.70 CTNNB1 (0.54) TSHRHPGDKMT2AMEN1MAPT

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-105246929-A Photocurable resin composition and method of use thereof for manufacturing dentures and denture bases in 3D printing DENTCA INC 2016-01-13 CN disclosed