SCHEMBL8027418

SCHEMBL8027418

COc1ccccc1OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)N(CC(C)C)CC(O)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.75
ACE P12821 13/20 0.75
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PIN1 Q13526 1/20 0.41
TACR1 P25103 1/20 0.41
F2 P00734 1/20 0.39

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
SCHEMBL8522143 1.00 MME (0.75) MMEACELPAR1LPAR5CPA1
SCHEMBL27461895 0.95 MME (0.67) MMEACELPAR1LPAR5CPA1
SCHEMBL8030959 0.94 MME (0.76) MMEACELPAR1CPA1ACE2
SCHEMBL8027628 0.93 MME (0.65) MMEACECPA1ACE2
SCHEMBL8521900 0.93 MME (0.65) MMEACECPA1ACE2
SCHEMBL27464502 0.92 MME (0.63) MMEACELPAR1LPAR5TACR1
SCHEMBL27446787 0.91 MME (0.63) MMEACELPAR1LPAR5TACR1
SCHEMBL8028028 0.90 MME (0.64) MMEACELPAR1LPAR5
SCHEMBL8028033 0.90 MME (0.64) MMEACELPAR1LPAR5
SCHEMBL8448735 0.90 MME (0.64) MMEACELPAR1LPAR5

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