SCHEMBL7412831

SCHEMBL7412831

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.50
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
CPA1 P15085 1/20 0.44
LAP3 P28838 6/20 0.43
ANPEP P15144 2/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
GRB2 P62993 1/20 0.43
CYP1A2 P05177 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX1 P07099 2/20 0.42
CSNK1E P49674 1/20 0.42
CTRB1 P17538 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
SCHEMBL7412834 1.00 SLC15A1 (0.50) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL7348243 0.84 SLC15A1 (0.46) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6556276 0.82 EPHX1 (0.48) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL10622532 0.82 EPHX1 (0.48) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6558174 0.82 RIPK1 (0.46) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7279403 0.82 CTRB1 (0.45) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7279408 0.82 CTRB1 (0.45) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6558171 0.82 RIPK1 (0.46) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL7348250 0.82 LAP3 (0.44) SLC15A1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6556117 0.81 CTRB1 (0.44) SLC15A1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256677-A Enzyme inhibitor for treating acquired immune deficiency syndrome ABBOTT LABORATORIES (US) 1993-10-26 US disclosed
WO-1992017176-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-10-15 WO disclosed
US-5151438-A Enzyme inhibitors for treatment of aids ABBOTT LABORATORIES (US) 1992-09-29 US disclosed