SCHEMBL4737402

SCHEMBL4737402

Cc1cc(C)c(S(=O)(=O)N2CCCC(CC(=O)NN3CCCCC3)C2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.62
EBP Q15125 2/20 0.48
DHCR7 Q9UBM7 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL4739860 0.84 ALDH1A1 (0.55) ALDH1A1
SCHEMBL4741708 0.83 ALDH1A1 (0.56) ALDH1A1
SCHEMBL4740140 0.83 CNR1 (0.46) EPHX2ALDH1A1MAPTNPSR1LMNA
SCHEMBL4737578 0.83 EPHX2 (0.49) EPHX2ALDH1A1LMNA
SCHEMBL4739879 0.82 RAB9A (0.58) ALDH1A1MAPTNPSR1LMNA
SCHEMBL4741089 0.81 LMNA (0.44) EPHX2ALDH1A1MAPTLMNA
SCHEMBL4740145 0.81 MAPT (0.49) ALDH1A1MAPTNPSR1
SCHEMBL4787735 0.81 CYP19A1 (0.58) EPHX2ALDH1A1MAPTNPSR1LMNA
SCHEMBL4740197 0.81 LMNA (0.50) ALDH1A1MAPTLMNA
SCHEMBL4785880 0.80 CYP3A4 (0.46) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO claimed
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed