SCHEMBL7539281

SCHEMBL7539281

NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
MMP8 P22894 1/20 0.51
MAPT P10636 2/20 0.50
CTSL P07711 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
DPP4 P27487 1/20 0.45
POLB P06746 2/20 0.45
CTSS P25774 1/20 0.45
PKM P14618 2/20 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
SCHEMBL7539288 1.00 FKBP1A (0.56) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7269457 0.89 FKBP1A (0.58) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7291450 0.89 FKBP1A (0.58) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7269464 0.89 FKBP1A (0.58) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL22951074 0.83 DPP4 (0.64) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL22951072 0.83 DPP4 (0.64) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL10512350 0.81 FKBP1A (0.58) FKBP1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7536033 0.81 MMP8 (0.45) MEN1KMT2AALDH1A1MMP8SMN1; SMN2
SCHEMBL7536026 0.81 MMP8 (0.45) MEN1KMT2AALDH1A1MMP8SMN1; SMN2
SCHEMBL7428991 0.81 KDM4E (0.55) ALDH1A1

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
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP claimed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed