SCHEMBL7340776

SCHEMBL7340776

Cc1cc(OCC(N)=O)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.41
CISD2 Q8N5K1 1/20 0.40
CBX7 O95931 1/20 0.40
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7452056 0.88 MCL1 (0.52) KMT2AMEN1RAB9ANPC1HDAC8
SCHEMBL7412830 0.87 MEN1 (0.41) KMT2AMEN1RAB9ANPC1HDAC8
SCHEMBL8342543 0.86 KMT2A (0.50) KMT2AMEN1RAB9ANPC1HDAC8
SCHEMBL7966118 0.85 SMN1; SMN2 (0.52) KMT2AMEN1RAB9ANPC1HDAC8
SCHEMBL7351054 0.85 SMN1; SMN2 (0.50) KMT2AMEN1RAB9ANPC1HDAC8
SCHEMBL7343350 0.85 SMN1; SMN2 (0.44) KMT2AMEN1RAB9ANPC1HDAC8
SCHEMBL7443547 0.83 PPARG (0.44) KMT2AMEN1RAB9ANPC1HDAC8
SCHEMBL2157110 0.81 RAB9A (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7371023 0.78 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7665668 0.77 KCNQ3 (0.46) RAB9ASMN1; SMN2POLBCISD2

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-5932582-A Fibrinogen receptor antagonist prodrugs MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0912513-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000401-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed