SCHEMBL5325186

SCHEMBL5325186

NC(=O)C1(Cc2ccco2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
EPHX2 P34913 4/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 6/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL6421403 0.84 TSHR (0.46) ALOX5EPHX2TSHRLMNAALDH1A1
SCHEMBL14074885 0.77 TSHR (0.49) EPHX2TSHRLMNAALDH1A1SLC1A3
SCHEMBL27942402 0.74 TSHR (0.41) ALOX5EPHX2TSHRLMNAALDH1A1
SCHEMBL14074876 0.72 TSHR (0.45) TSHRLMNAALDH1A1POLBKMT2A
SCHEMBL2469547 0.71 MAOA (0.50) TSHRLMNAALDH1A1
SCHEMBL30589493 0.71 MAOA (0.50) TSHRLMNAALDH1A1
SCHEMBL2100052 0.70
Furfuryl Alcohol SCHEMBL1487380 0.70 ALOX5 (0.56) ALOX5EPHX2ALDH1A1SLC1A3SLC1A2
SCHEMBL13280659 0.69 TSHR (0.41) ALOX5EPHX2TSHRLMNAALDH1A1
SCHEMBL17033080 0.68 ALDH1A1 (0.40) EPHX2TSHRLMNAALDH1A1TDP1

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-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 WO disclosed