SCHEMBL19201862

SCHEMBL19201862

CSCCC(N)C(=O)NCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.41
FNTA P49354 6/20 0.38
FNTB P49356 6/20 0.38
PGGT1B P53609 5/20 0.38
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
CTSK P43235 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
RRM1 P23921 1/20 0.34
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL19161065 1.00 CTSC (0.41) CTSCFNTAFNTBPGGT1BARG1
Hydrochloric Acid SCHEMBL19136606 0.98 CTSC (0.41) CTSCFNTAFNTBPGGT1BARG1
Hydrochloric Acid SCHEMBL19136604 0.98 CTSC (0.41) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL15803230 0.81 DPP7 (0.47) DPP7RRM1
Hydrochloric Acid SCHEMBL15795216 0.79 DPP7 (0.46) DPP7RRM1
Hydrochloric Acid SCHEMBL15795214 0.79 DPP7 (0.46) DPP7RRM1
SCHEMBL12341594 0.79 CTSC (0.45) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL12257898 0.79 CTSC (0.45) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL25328642 0.77 CTSC (0.44) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL15801446 0.77 DPP7 (0.38) CTSCCTSKDPP7RRM1TSHR

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-2017132014-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed