SCHEMBL8953605

SCHEMBL8953605

CC(=O)N(C)c1ccc(CSc2cccc(C(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.37
ALDH1A1 P00352 1/20 0.36
PIP5K1C O60331 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CCR2 P41597 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
MGLL Q99685 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8953797 0.88 SIRT2 (0.33) SIRT2PIP5K1CCCR2SMN1; SMN2LMNA
SCHEMBL8953688 0.88 SIRT2 (0.33) SIRT2PIP5K1CCCR2SMN1; SMN2LMNA
SCHEMBL8953786 0.85 ALOX5 (0.44) ALDH1A1PIP5K1CMGLLALOX5MEN1
SCHEMBL8953659 0.82 SIRT2 (0.38) SIRT2ALDH1A1CCR2SMN1; SMN2LMNA
SCHEMBL8953864 0.80 MAOB (0.47) ALDH1A1KDM2BRAB9AKMT2A
SCHEMBL8953684 0.78 MTNR1A (0.34) ALDH1A1CCR2SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8953680 0.78 MTNR1A (0.34) ALDH1A1CCR2SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8953842 0.77 ALOX5 (0.35) PIP5K1CSMN1; SMN2ALOX5
SCHEMBL8953770 0.73 ALOX5 (0.41) ALDH1A1PIP5K1CLMNAMGLLALOX5
SCHEMBL8953794 0.72 PPARA (0.38) ALDH1A1PIP5K1CKDM2BSMN1; SMN2LMNA

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-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed