SCHEMBL27345872

SCHEMBL27345872

NCC(F)(F)C(O)C(N)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.44
EPHX1 P07099 1/20 0.44
CSNK1E P49674 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
CPA1 P15085 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 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
SCHEMBL10622532 0.84 EPHX1 (0.48) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL6556276 0.84 EPHX1 (0.48) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL7418519 0.83 SLC15A1 (0.42) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL7418523 0.83 SLC15A1 (0.42) SLC15A1EPHX1CSNK1EALPIPKM
Hydrochloric Acid SCHEMBL5711578 0.82 EPHX1 (0.47) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL6351074 0.81 SLC15A1 (0.43) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL9105563 0.81 SLC15A1 (0.40) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL7337442 0.79 KDM4E (0.49) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL7275924 0.79 KDM4E (0.49) SLC15A1EPHX1CSNK1EALPIPKM
SCHEMBL7412831 0.78 SLC15A1 (0.50) SLC15A1EPHX1CSNK1EALPIPKM

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
CN-1031880-C Novel analogs of peptidase substrates MERRELL DOW PHARMA (US) 1996-05-29 CN disclosed