SCHEMBL7268256

SCHEMBL7268256

CC1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(NC(=N)N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.48
BACE1 P56817 1/20 0.47
F10 P00742 3/20 0.46
F9 P00740 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PRSS1 P07477 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
USP30 Q70CQ3 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
SCHEMBL5163894 0.80 CYP1A2 (0.55) F10F9PLGPLAUKLKB1
SCHEMBL7275364 0.80 CA2 (0.62) MEN1KMT2AALDH1A1
SCHEMBL6409267 0.76 USP30 (0.55) KMT2AALDH1A1F10F9CYP1A2
SCHEMBL8058939 0.76 PTPN1 (0.57) CTSL
SCHEMBL10590066 0.74 CYP1A2 (0.53) PLGPLAUKLKB1CYP1A2CYP3A4
SCHEMBL10590070 0.73 CYP1A2 (0.53) LMNAALDH1A1F10PLGPLAU
Hydrochloric Acid SCHEMBL10590762 0.73 MMP9 (0.54) PLAUL3MBTL1
Hydrochloric Acid SCHEMBL10590765 0.73 MMP9 (0.48) F10PLAUCYP1A2CYP3A4CYP2D6
SCHEMBL7274495 0.72 CTSS (0.60) CTSSCTSKCTSBCTSL
SCHEMBL27125782 0.72 ALDH1A1 (0.54) MEN1KMT2AALDH1A1L3MBTL1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954512-A Anti-ulcer composition Okamoto, Shosuke (JP) 1990-09-04 US disclosed
EP-0317959-A2 Anti-ulcer composition Okamoto, Shosuke (JP) 1989-05-31 EP disclosed
EP-0298135-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-01-11 EP disclosed