SCHEMBL7416145

SCHEMBL7416145

NC(C=CC(=O)O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.55
ANPEP P15144 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
ERAP2 Q6P179 1/20 0.49
TAAR1 Q96RJ0 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HCAR2 Q8TDS4 1/20 0.46
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
ACE P12821 1/20 0.43
GRIK1 P39086 2/20 0.43
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSL P07711 1/20 0.42
ALPI P09923 1/20 0.42

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
SCHEMBL7416137 1.00 SLC15A1 (0.55) SLC15A1ANPEPERAP1ERAP2TAAR1
SCHEMBL7416141 1.00 SLC15A1 (0.55) SLC15A1ANPEPERAP1ERAP2TAAR1
SCHEMBL3131714 1.00 SLC15A1 (0.55) SLC15A1ANPEPERAP1ERAP2TAAR1
Hydrochloric Acid SCHEMBL7363138 0.98 SLC15A1 (0.54) SLC15A1ANPEPERAP1ERAP2TAAR1
Hydrochloric Acid SCHEMBL7363137 0.98 SLC15A1 (0.54) SLC15A1ANPEPERAP1ERAP2TAAR1
Hydrochloric Acid SCHEMBL7363142 0.98 SLC15A1 (0.54) SLC15A1ANPEPERAP1ERAP2TAAR1
Trifluoroacetic Acid SCHEMBL9943876 0.91 SLC15A1 (0.51) SLC15A1ANPEPERAP1ERAP2TAAR1
Trifluoroacetic Acid SCHEMBL9102768 0.91 SLC15A1 (0.51) SLC15A1ANPEPERAP1ERAP2TAAR1
Trifluoroacetic Acid SCHEMBL9102789 0.91 SLC15A1 (0.51) SLC15A1ANPEPERAP1ERAP2TAAR1
SCHEMBL2348815 0.88 ERAP1 (0.47) SLC15A1ANPEPERAP1ERAP2ALDH1A1

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-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed