SCHEMBL11200337

SCHEMBL11200337

CC(C)[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.58
MCL1 Q07820 2/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPSR1 Q6W5P4 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL11053243 1.00 MAPT (0.62) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL5598919 0.89 MAPT (0.65) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL31070905 0.89 MAPT (0.65) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL10793219 0.89 MAPT (0.65) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL5598915 0.89 MAPT (0.65) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL11376009 0.83 MAPT (0.68) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL11453973 0.83 MAPT (0.68) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL11194098 0.82 MAPT (0.67) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL11316039 0.82 MAPT (0.67) MAPTALDH1A1LMNAMCL1KMT2A
SCHEMBL9442659 0.82 MAPT (0.67) MAPTALDH1A1LMNAMCL1KMT2A

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