SCHEMBL8524271

SCHEMBL8524271

CCOC(=O)COc1ccc(NC(=O)OC(C)(C)C)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 1/20 0.46
IDH1 O75874 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
NLRP3 Q96P20 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL7351054 0.86 SMN1; SMN2 (0.50) HPGDKDM4EKMT2AGAAHSD17B10
SCHEMBL8322740 0.84 MAPT (0.48) HPGDKDM4EKMT2AGAAHSD17B10
SCHEMBL8664998 0.81 TDP1 (0.56) HPGDKMT2AGAALMNAPOLB
SCHEMBL4856473 0.80 EPHX2 (0.54) HPGDKDM4EKMT2AIDH1GAA
SCHEMBL4851692 0.79 S1PR1 (0.45) HPGDKDM4EKMT2AIDH1LMNA
SCHEMBL7475639 0.78 SMN1; SMN2 (0.56) KMT2AIDH1GAAHSD17B10LMNA
SCHEMBL24726246 0.77 LMNA (0.44) LMNAPOLBRAB9ASMN1; SMN2MAPT
SCHEMBL16571563 0.77 KDM4E (0.51) HPGDKDM4EKMT2AIDH1GAA
SCHEMBL8575846 0.76 SMN1; SMN2 (0.46) KDM4EKMT2AHSD17B10LMNAPOLB
SCHEMBL16571344 0.76 GAA (0.50) HPGDKDM4EKMT2AGAAHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed