SCHEMBL28087182

SCHEMBL28087182

C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.36
NOTUM Q6P988 7/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
APLNR P35414 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 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
SCHEMBL28087184 1.00 MAPT (0.47) MAPTGAATSHRALDH1A1NOTUM
SCHEMBL4135838 1.00 MAPT (0.47) MAPTGAATSHRALDH1A1NOTUM
SCHEMBL16445419 0.86 MAPT (0.45) MAPTGAATSHR
SCHEMBL23163268 0.86 MAPT (0.45) MAPTGAATSHRALDH1A1NOTUM
SCHEMBL29155481 0.86 MAPT (0.45) MAPTGAATSHRALDH1A1NOTUM
SCHEMBL29155482 0.86 MAPT (0.45) MAPTGAATSHRALDH1A1NOTUM
SCHEMBL692724 0.84 MAPT (0.44) MAPTGAATSHRALDH1A1LMNA
SCHEMBL599220 0.84 MAPT (0.44) MAPTGAATSHRALDH1A1LMNA
SCHEMBL599219 0.84 MAPT (0.44) MAPTGAATSHRALDH1A1LMNA
SCHEMBL599218 0.84 MAPT (0.44) MAPTGAATSHRALDH1A1LMNA

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-105764887-A Nitrogen-containing saturated heterocyclic compound 住友化学株式会社 2016-07-13 CN disclosed