SCHEMBL7270859

SCHEMBL7270859

COC(=O)CCN1C(=O)CSc2ccc(C(N)C(=O)OC(C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL7278012 0.90 ALDH1A1 (0.38) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7278250 0.81 TSHR (0.45) POLBALDH1A1USP2TSHRTP53
SCHEMBL7270855 0.78 MAPT (0.44) POLBLMNATDP1SMN1; SMN2MAPT
SCHEMBL7270181 0.74 POLB (0.46) POLBLMNATDP1SMN1; SMN2MAPT
SCHEMBL7280026 0.73 NPSR1 (0.62) POLBLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7270151 0.71 KMO (0.56) POLBALDH1A1L3MBTL1USP2TSHR
SCHEMBL9850703 0.70 ALDH1A1 (0.46) POLBLMNATDP1SMN1; SMN2MAPT
SCHEMBL9845852 0.70 NPSR1 (0.41) POLBLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7278264 0.69 MAPT (0.42) TDP1SMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL24796120 0.65 MAPT (0.54) POLBSMN1; SMN2MAPTALDH1A1NPSR1

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
EP-0411751-A1 Renin inhibitory peptides Beecham Group p.l.c. (GB) 1991-02-06 EP disclosed