SCHEMBL9511334

SCHEMBL9511334

CCOC(=O)N[C@@H](C(=O)O)c1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
ACACB O00763 1/20 0.39
GAA P10253 1/20 0.39
FOLH1 Q04609 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37

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
SCHEMBL9513414 1.00 ATM (0.53) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL9513430 1.00 ATM (0.53) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL9513405 0.87 ATM (0.52) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL9513397 0.87 ATM (0.52) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL9513399 0.87 ATM (0.52) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL1200738 0.84 ATM (0.62) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL1200736 0.84 ATM (0.62) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL1200775 0.84 ATM (0.62) ATMSMN1; SMN2LMNAMAPK1HTT
SCHEMBL11353294 0.81 CTSS (0.52) ATMCTSSITGB3
SCHEMBL9513339 0.80 LMNA (0.41) SMN1; SMN2LMNAMAPK1HTTGAA

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-0254545-B1 DIAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-06 EP disclosed
EP-0254545-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 EP disclosed