SCHEMBL8028033

SCHEMBL8028033

COc1ccccc1OC(=O)[C@H](Cc1ccccc1)NC(=O)N(CC(C)C)C[C@H](O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.64
ACE P12821 8/20 0.64
LPAR1 Q92633 3/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
FPR2 P25090 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
CAPN1 P07384 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41

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
SCHEMBL8448735 1.00 MME (0.64) MMEACELPAR1ALDH1A1GAA
SCHEMBL8028028 1.00 MME (0.64) MMEACELPAR1ALDH1A1GAA
SCHEMBL27463257 0.96 MME (0.58) MMEACELPAR1ALDH1A1GAA
SCHEMBL8027674 0.95 MME (0.73) MMEACELPAR1LPAR5
SCHEMBL8452763 0.95 MME (0.73) MMEACELPAR1LPAR5
SCHEMBL8027670 0.95 MME (0.73) MMEACELPAR1LPAR5
SCHEMBL8028923 0.93 MME (0.66) MMEACELPAR1ALDH1A1GAA
SCHEMBL8028927 0.93 MME (0.66) MMEACELPAR1ALDH1A1GAA
SCHEMBL27461896 0.92 MME (0.54) MMEACELPAR1LPAR5CAPN1
SCHEMBL27461897 0.92 MME (0.54) MMEACELPAR1LPAR5CAPN1

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