SCHEMBL7439867

SCHEMBL7439867

CC(C)(C)OC(=O)N1CC(C=CC(=O)N2CCCC(C(=O)O)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.44
EPHX1 P07099 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.37
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
RECQL P46063 1/20 0.36
NR1H2 P55055 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HTT P42858 1/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35

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
SCHEMBL7439850 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7439872 1.00 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL6539175 0.92 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7435444 0.92 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7435431 0.92 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL6539180 0.92 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL6539187 0.92 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7446671 0.92 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL18497419 0.85 HPGD (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL18497416 0.85 HPGD (0.48) MEN1ALDH1A1MAPTKMT2AHPGD

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed