SCHEMBL435693

SCHEMBL435693

CC1(C(=O)NC(C)(C)c2ccc3c(c2)CC(C(=O)NO)CC3)CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
KARS1 Q15046 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 3/20 0.31
EPHX2 P34913 1/20 0.30
GHSR Q92847 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
SCHEMBL436178 0.86 FAAH (0.35) GHSR
SCHEMBL436428 0.83 RAF1 (0.32) POLBAPEX1KARS1RAF1BRAF
SCHEMBL346598 0.83 KHK (0.40) RAF1BRAFSMN1; SMN2GHSR
SCHEMBL435890 0.80 FAAH (0.37) RAF1BRAF
SCHEMBL345716 0.79 KHK (0.40) GHSR
SCHEMBL436765 0.78 ALDH1A1 (0.39) POLBALDH1A1
SCHEMBL436766 0.78 NR1H2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL10265063 0.75 RAF1 (0.41) RAF1BRAFGHSR
SCHEMBL346082 0.75 MMP3 (0.40) RAF1BRAF
SCHEMBL435694 0.74 GHSR (0.35) GHSR

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-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed