SCHEMBL7574571

SCHEMBL7574571

COc1ccc2ccccc2c1C[C@H](NC(=O)N(CCC(=O)OCc1ccccc1)CC(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.49
ACE P12821 6/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTSB P07858 1/20 0.42
LPAR1 Q92633 3/20 0.42
CASP1 P29466 1/20 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
SCHEMBL7568871 0.89 MME (0.55) MMEACEMEN1KMT2ALPAR1
SCHEMBL7567634 0.89 MME (0.49) MMEACEMEN1KMT2ACTSB
SCHEMBL7567320 0.86 MME (0.66) MMEACECTSBCASP1
SCHEMBL7574270 0.82 MME (0.70) MMEACECTSBCASP1
SCHEMBL8449475 0.81 MME (0.60) MMEACECTSBCASP1
SCHEMBL7567288 0.81 MME (0.53) MMEACEMEN1KMT2ACTSB
SCHEMBL8446444 0.81 KMT2A (0.41) MEN1KMT2ACTSBCASP1
SCHEMBL7567838 0.80 MME (0.66) MMEACECTSB
SCHEMBL7568360 0.80 MME (0.66) MMEACECTSB
SCHEMBL7567870 0.79 MME (0.61) MMEACECTSB

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
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed