SCHEMBL10487590

SCHEMBL10487590

C[C@H](N)C(=O)C1(NCC(=O)O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
PROC P04070 1/20 0.36
MME P08473 2/20 0.34
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31

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
SCHEMBL2588409 0.75 MME (0.41) F2PROCMMELTA4HALDH1A1
SCHEMBL5634108 0.74 MME (0.38) F2PROCMMEALDH1A1LMNA
SCHEMBL7386060 0.71 MME (0.38) F2PROCMMEALDH1A1LMNA
SCHEMBL7104488 0.68 NPSR1 (0.34) F2PROCMMEALDH1A1LMNA
SCHEMBL6864504 0.68 MME (0.33) F2PROCMME
SCHEMBL4323492 0.67 DPP4 (0.47) MMEALDH1A1LMNAMAPTPTGS2
SCHEMBL1782571 0.67 MME (0.33) F2PROCMMEALDH1A1MAPT
SCHEMBL1568710 0.66 MME (0.35) MMEALDH1A1
SCHEMBL5095243 0.66 TSHR (0.41) F2PROCMMEALDH1A1LMNA
SCHEMBL1781639 0.66 DPP4 (0.49) MMEALDH1A1LMNAUSP2CYP1A2

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
US-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed