SCHEMBL10697296

SCHEMBL10697296

NC(Cc1ccccc1)C(O)C(F)(F)C(N)C(=O)CC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 3/20 0.48
LAP3 P28838 3/20 0.48
LTA4H P09960 2/20 0.48
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC3 O15438 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
RARG P13631 1/20 0.41
CNR1 P21554 1/20 0.41
OPRK1 P41145 1/20 0.41
NR1H2 P55055 1/20 0.41
PPARA Q07869 1/20 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
SCHEMBL10445568 0.87 LTA4H (0.55) SLC15A1LAP3LTA4HALDH1A1MAPK1
SCHEMBL10431947 0.84 SLC15A1 (0.53) SLC15A1LAP3LTA4HALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6558239 0.80 CYP1A2 (0.47) SLC15A1LAP3LTA4HALDH1A1MAPK1
SCHEMBL10432041 0.79 SLC15A1 (0.40) SLC15A1ALDH1A1MAPK1L3MBTL1CYP1A2
SCHEMBL10432270 0.79 ALPI (0.47) SLC15A1LAP3LTA4HCTRB1ANPEP
SCHEMBL7294329 0.79 LTA4H (0.44) SLC15A1LAP3LTA4HCTSLANPEP
SCHEMBL10445629 0.78 MDM2 (0.49) SLC15A1LAP3LTA4HCYP1A2CTRB1
SCHEMBL10445400 0.77 LTA4H (0.48) LAP3LTA4HALDH1A1ANPEP
Hydrochloric Acid SCHEMBL6558386 0.77 HRH4 (0.45) SLC15A1LAP3LTA4HALDH1A1MAPK1
SCHEMBL9724712 0.76 CSNK1E (0.46) SLC15A1LAP3LTA4HALDH1A1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed