SCHEMBL7275326

SCHEMBL7275326

COC(=O)[C@H](C)NC1(C(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
HSD17B10 Q99714 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7273501 0.91 CTSL (0.49) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL8153063 0.91 CTSL (0.49) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL15461488 0.90 CTSL (0.52) CTSLCTSBCTSSALDH1A1CYP2D6
SCHEMBL15461470 0.88 CTSB (0.50) CTSLCTSBCTSSALDH1A1CYP2D6
SCHEMBL7267638 0.85 CTSB (0.48) CTSLCTSBCTSSALDH1A1CYP2D6
SCHEMBL7276396 0.84 CTSB (0.47) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL13177736 0.81 CTSL (0.54) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL12661032 0.81 CTSL (0.54) CTSLCTSBCTSSALDH1A1DDB1
SCHEMBL7429160 0.81 MME (0.43) CTSLCTSBCTSSMAPTALDH1A1
SCHEMBL7275909 0.79 CTSS (0.40) CTSLCTSBCTSSMAPTALDH1A1

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
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed