SCHEMBL8030332

SCHEMBL8030332

O=C(O)[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C[C@H](O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.68
ACE P12821 11/20 0.68
PTPN1 P18031 2/20 0.53
LPAR1 Q92633 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL8030328 1.00 MME (0.68) MMEACEPTPN1LPAR1NPSR1
SCHEMBL9007742 0.95 MME (0.77) MMEACEPTPN1
SCHEMBL9007746 0.95 MME (0.77) MMEACEPTPN1
SCHEMBL9554565 0.89 PTPN1 (0.61) MMEACEPTPN1LPAR1NPSR1
SCHEMBL8028710 0.88 ACE (0.80) MMEACE
SCHEMBL8017424 0.88 MME (0.57) MMEACEPTPN1LPAR1
SCHEMBL8017421 0.88 MME (0.57) MMEACEPTPN1LPAR1
SCHEMBL8028610 0.87 ACE (0.68) MMEACE
SCHEMBL8027170 0.87 MME (0.88) MMEACE
SCHEMBL8032885 0.87 MME (0.88) 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