SCHEMBL8017601

SCHEMBL8017601

COc1ccc2cc(C[C@H](NC(=O)N(CC(C)C)C[C@H](O)C(=O)O)C(=O)O)ccc2c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.79
ACE P12821 12/20 0.79
PTPN1 P18031 2/20 0.50
PIN1 Q13526 1/20 0.48
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
CDC25B P30305 1/20 0.43

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
SCHEMBL8032604 0.91 MME (0.77) MMEACE
SCHEMBL8032597 0.91 MME (0.77) MMEACE
SCHEMBL8029619 0.90 MME (0.70) MMEACEPTPN1PIN1
SCHEMBL8032883 0.89 MME (0.71) MMEACE
SCHEMBL8032875 0.89 MME (0.71) MMEACE
SCHEMBL8027151 0.89 MME (1.00) MMEACEPIN1
SCHEMBL8032890 0.89 MME (1.00) MMEACEPIN1
SCHEMBL6440665 0.89 MME (1.00) MMEACEPIN1
SCHEMBL8030485 0.89 MME (1.00) MMEACEPIN1
SCHEMBL8033744 0.89 MME (1.00) MMEACEPIN1

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-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed