SCHEMBL6976729

SCHEMBL6976729

CCOC(=O)OC(=O)C(CC)C(N)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.40
KDM4E B2RXH2 4/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 2/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6976733 0.79 SMN1; SMN2 (0.59) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL6980041 0.79 ALDH1A1 (0.51) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL1051993 0.79 ALDH1A1 (0.51) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL3243742 0.76 SMN1; SMN2 (0.62) SMN1; SMN2MEN1GAAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL5966969 0.75 SMN1; SMN2 (0.61) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL1051991 0.72 SMN1; SMN2 (0.55) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL1077616 0.72 SMN1; SMN2 (0.55) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL1162993 0.72 SMN1; SMN2 (0.66) SMN1; SMN2MEN1GAAKMT2ACYP1A2
SCHEMBL16166404 0.72 SMN1; SMN2 (0.61) SMN1; SMN2MEN1GAAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL7321879 0.71 SMN1; SMN2 (0.53) SMN1; SMN2MEN1GAAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed