SCHEMBL7439618

SCHEMBL7439618

COc1ccc(C(=O)CNC(=O)C(C)C)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TSHR P16473 2/20 0.52
CTNNB1 P35222 2/20 0.52
WNT3A P56704 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 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
SCHEMBL7437162 0.83 MAPT (0.50) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL3652524 0.80 MAPT (0.59) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL1659363 0.79 MAPT (0.71) MAPTTSHRCTNNB1WNT3ACYP1A2
Bromide SCHEMBL6167505 0.78 MAPT (0.58) MAPTTSHRCTNNB1WNT3ACYP1A2
Hydrochloric Acid SCHEMBL3656869 0.78 MAPT (0.58) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL7438183 0.78 CTNNB1 (0.55) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL7413883 0.78 MAPT (0.55) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL7436967 0.77 ITGB3 (0.59) MAPTTSHRCTNNB1WNT3ACYP1A2
SCHEMBL25640423 0.77 ERCC1 (0.58) MAPTKMT2AMEN1ALDH1A1CA12
SCHEMBL11045658 0.76 PDE4D (0.62) MAPTTSHRCTNNB1WNT3ACYP1A2

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
US-4745118-A BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-05-17 US disclosed