SCHEMBL6533959

SCHEMBL6533959

NC(Cc1ccccc1)C(F)(F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
CPA1 P15085 1/20 0.47
CYP1A2 P05177 1/20 0.47
EPHX1 P07099 2/20 0.47
GRB2 P62993 1/20 0.46
SLC15A1 P46059 1/20 0.46
LAP3 P28838 3/20 0.46
ANPEP P15144 1/20 0.46
SRR Q9GZT4 1/20 0.44
CTRB1 P17538 1/20 0.44

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
SCHEMBL7412831 0.81 SLC15A1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7412834 0.81 SLC15A1 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7038036 0.79 KDM4E (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL638408 0.78 EPHX1 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6380241 0.78 EPHX1 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4551685 0.78 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL16649156 0.78 SLC7A5 (0.81) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL7450242 0.78 SLC7A5 (0.81) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL3050654 0.78 SLC7A5 (0.81) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL3047281 0.78 SLC7A5 (0.81) ALPIPKMPTGS1XIAPSLC7A5

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
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed