SCHEMBL19201830

SCHEMBL19201830

C[C@H](CCS(C)(=O)=O)C(=O)NCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.35
KMT2A Q03164 2/20 0.33
ATR Q13535 1/20 0.30
HCRTR2 O43614 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19161073 0.85 DPP7 (0.37) CTSKCTSSKMT2A
SCHEMBL19202336 0.85 DPP7 (0.37) CTSKCTSSKMT2A
Hydrochloric Acid SCHEMBL19136370 0.83 DPP7 (0.36) CTSKCTSSKMT2A
Hydrochloric Acid SCHEMBL19136371 0.83 DPP7 (0.36) CTSKCTSSKMT2A
SCHEMBL21137492 0.80 LMNA (0.35) KMT2A
SCHEMBL761750 0.79 KDM4E (0.34) CTSKCTSSHCRTR2PSEN1PSEN2
SCHEMBL762255 0.78 CTSS (0.38) CTSKCTSSPSEN1PSEN2APH1B
SCHEMBL21137558 0.76 ALDH1A1 (0.35) KMT2A
SCHEMBL19136607 0.75
SCHEMBL19136615 0.75

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