SCHEMBL30040482

SCHEMBL30040482

CCOC(=O)C[C@@H](CC)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.56
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.51
F10 P00742 4/20 0.50
MMP8 P22894 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRSS1 P07477 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4405154 1.00 F2 (0.56) F2ALDH1A1TSHRF10MMP8
SCHEMBL232194 0.93 F2 (0.59) F2ALDH1A1TSHRF10MMP8
SCHEMBL28642234 0.88 F2 (0.55) F2ALDH1A1TSHRF10MMP8
SCHEMBL7141857 0.88 F2 (0.55) F2ALDH1A1TSHRF10MMP8
SCHEMBL3863643 0.88 F2 (0.55) F2ALDH1A1TSHRF10MMP8
SCHEMBL5319563 0.87 GABBR2 (0.62) F2ALDH1A1TSHRF10MMP8
SCHEMBL27653392 0.87 ALDH1A1 (0.54) F2ALDH1A1TSHRF10MMP8
SCHEMBL17869298 0.87 F2 (0.54) F2ALDH1A1TSHRF10MMP8
SCHEMBL2719599 0.87 F2 (0.61) F2ALDH1A1TSHRF10MMP8
SCHEMBL28354797 0.86 ALDH1A1 (0.48) F2ALDH1A1MEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260178-B Synthetic method and application of pyridine skeleton NCN oxazoline ligand 上海师范大学 2024-09-20 CN disclosed
CN-115260178-A Synthesis method and application of pyridine-skeleton NCN oxazoline ligand 上海师范大学 2022-11-01 CN disclosed