SCHEMBL11206192

SCHEMBL11206192

CC(C)[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
MMP2 P08253 1/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 2/20 0.53
DGAT1 O75907 1/20 0.52
GAA P10253 2/20 0.50
CSGALNACT1 Q8TDX6 1/20 0.50
XBP1 P17861 1/20 0.50

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
SCHEMBL11206190 1.00 NPSR1 (0.60) NPSR1SMN1; SMN2KDM4ECTSLCTSB
SCHEMBL2336933 0.90 SMN1; SMN2 (0.58) NPSR1SMN1; SMN2KDM4ECTSLCTSB
SCHEMBL2336931 0.90 SMN1; SMN2 (0.58) NPSR1SMN1; SMN2KDM4ECTSLCTSB
SCHEMBL837824 0.85 SMN1; SMN2 (0.70) NPSR1SMN1; SMN2KDM4ECA12CA1
SCHEMBL18838552 0.85 SMN1; SMN2 (0.70) NPSR1SMN1; SMN2KDM4ECA12CA1
SCHEMBL29446980 0.85 SMN1; SMN2 (0.70) NPSR1SMN1; SMN2KDM4ECA12CA1
SCHEMBL11198025 0.84 ALDH1A1 (0.52) NPSR1SMN1; SMN2KDM4ECTSLCTSB
SCHEMBL11198020 0.84 ALDH1A1 (0.52) NPSR1SMN1; SMN2KDM4ECTSLCTSB
SCHEMBL2473494 0.83 CTSL (0.53) NPSR1SMN1; SMN2KDM4ECTSLCTSB
SCHEMBL3468963 0.83 CTSL (0.53) NPSR1SMN1; SMN2KDM4ECTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed