SCHEMBL6984920

SCHEMBL6984920

OC(CNC1CCCC1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.52
LMNA P02545 2/20 0.50
GMNN O75496 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
ANPEP P15144 2/20 0.48
ERAP2 Q6P179 2/20 0.48
SLC2A1 P11166 1/20 0.41
PABPC1 P11940 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL27980382 0.81 KDM4E (1.00) KDM4ESMN1; SMN2HTTLMNAANPEP
SCHEMBL3393821 0.81 KDM4E (0.74) KDM4ESMN1; SMN2HTTTP53LMNA
SCHEMBL30777623 0.79 KDM4E (0.71) KDM4ESMN1; SMN2HTTTP53LMNA
SCHEMBL2244729 0.77 TP53 (0.52) KDM4ESMN1; SMN2HTTTP53LMNA
SCHEMBL24715431 0.77 KDM4E (0.68) KDM4ESMN1; SMN2HTTLMNAANPEP
SCHEMBL3154036 0.77 KDM4E (0.68) KDM4ESMN1; SMN2HTTTP53LMNA
SCHEMBL4611607 0.77 KDM4E (0.68) KDM4ESMN1; SMN2HTTTP53LMNA
SCHEMBL16822346 0.77 KDM4E (0.68) KDM4ESMN1; SMN2HTTLMNAANPEP
SCHEMBL23132214 0.77 KDM4E (0.68) KDM4ESMN1; SMN2HTTLMNAANPEP
SCHEMBL1153017 0.77 KDM4E (0.68) KDM4ESMN1; SMN2HTTLMNAANPEP

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-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO disclosed