SCHEMBL8719209

SCHEMBL8719209

CCC(=O)C1CCC=CCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
USP2 O75604 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
HSD11B1 P28845 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
SCHEMBL16329447 0.92 RAB9A (0.33) ALDH1A1KDM4EPKMALOX15HTT
SCHEMBL5081272 0.90 RAB9A (0.32) ALDH1A1KDM4EPKMRAB9A
SCHEMBL5081270 0.90 RAB9A (0.32) ALDH1A1KDM4EPKMRAB9A
SCHEMBL5278699 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EPKMALOX15HTT
SCHEMBL256670 0.84
SCHEMBL16799829 0.79
SCHEMBL256032 0.77
SCHEMBL2128026 0.77
SCHEMBL27787478 0.77 TDP1 (0.33) ALDH1A1MAPTTDP1HSD11B1
SCHEMBL1229066 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EPKMALOX15HTT

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-5767120-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; TREATMENT FOR SEPTIC SHOCK SCHERING CORPORATION (US) 1998-06-16 US disclosed