SCHEMBL8029619

SCHEMBL8029619

COc1ccc2cc(C[C@H](NC(=O)N(CC(C)C)C[C@H](O)C(=O)OCc3ccccc3)C(=O)O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.70
ACE P12821 12/20 0.70
PTPN1 P18031 2/20 0.54
PIN1 Q13526 1/20 0.47
F2 P00734 1/20 0.47
FPR2 P25090 1/20 0.45

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
SCHEMBL27445684 0.93 MME (0.81) MMEACEPTPN1F2
SCHEMBL8027177 0.93 MME (0.81) MMEACEPTPN1F2
SCHEMBL8016985 0.93 MME (0.81) MMEACEPTPN1F2
SCHEMBL8026927 0.93 MME (0.81) MMEACEPTPN1F2
SCHEMBL8029487 0.93 MME (0.81) MMEACEPTPN1F2
SCHEMBL8032641 0.93 MME (0.81) MMEACEPTPN1F2
SCHEMBL8017601 0.90 MME (0.79) MMEACEPTPN1PIN1
SCHEMBL8028782 0.89 MME (0.71) MMEACEFPR2
SCHEMBL8028785 0.89 MME (0.71) MMEACEFPR2
SCHEMBL8027319 0.87 MME (0.72) MMEACE

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