SCHEMBL7220436

SCHEMBL7220436

CCOC(=O)c1cc(C(C)C(=O)OC(C)(C)C)[nH]c(=O)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NMT1 P30419 1/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 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
SCHEMBL7216324 0.90 LTA4H (0.40) KDM4EALDH1A1POLBUSP2TSHR
SCHEMBL7214242 0.84 LTA4H (0.36) KMT2AALDH1A1POLBUSP2TSHR
SCHEMBL3423830 0.80 KDM4E (0.51) PDE3BPDE3AMAOBKMT2AMEN1
SCHEMBL4318577 0.78 PDE3B (0.49) PDE3BPDE3AMAOBKMT2AMEN1
SCHEMBL5555614 0.78 PDE3B (0.48) PDE3BPDE3AMAOBKMT2AMEN1
SCHEMBL7450120 0.76 PDE3B (0.41) PDE3BPDE3AMAOBKMT2AMEN1
SCHEMBL7450125 0.71 RAB9A (0.45) PDE3BPDE3AKMT2AKDM4EALDH1A1
SCHEMBL7220431 0.71 TSHR (0.49) MAOBKMT2ACRHBPCRHR2MEN1
SCHEMBL23796493 0.71 MEN1 (0.59) MAOBKMT2AMEN1HSP90AA1ALDH1A1
SCHEMBL9321664 0.70 MEN1 (0.52) MAOBKMT2AMEN1HSP90AA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed