SCHEMBL10119262

SCHEMBL10119262

C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
PKM P14618 1/20 0.61
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
PABPC1 P11940 1/20 0.54
CFTR P13569 10/20 0.48
ACE P12821 3/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL12518071 1.00 LMNA (0.61) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL20964503 0.82 LMNA (0.51) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL12518275 0.81 LMNA (0.65) LMNA
SCHEMBL8495772 0.79 LMNA (0.61) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL12518271 0.78 ACE (0.50) ACE
SCHEMBL12518268 0.77 POLB (0.48) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL8698541 0.76 LMNA (0.58) LMNAPKMGAAALDH1A1SMN1; SMN2
SCHEMBL9409874 0.74 FNTA (0.60) ACEFNTAFNTB
SCHEMBL9409851 0.74 FNTA (0.60) ACEFNTAFNTB
SCHEMBL9409861 0.74 FNTA (0.60) ACEFNTAFNTB

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
WO-2012004554-A1 ALDEHYDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2012-01-12 WO disclosed