SCHEMBL3362970

SCHEMBL3362970

O=Cc1ccc(OC2CCCCO2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
HPGD P15428 8/20 0.41
ALDH1A1 P00352 2/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH3A1 P30838 1/20 0.40
CSNK2A1 P68400 2/20 0.39
TTR P02766 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL3359792 0.87 PDE4B (0.49) PDE4BHPGDALDH1A1ALDH1A3KDM4E
SCHEMBL5863923 0.84 PDE4B (0.47) PDE4BHPGDALDH1A1ALDH1A3KDM4E
SCHEMBL667201 0.83 ALDH1A1 (0.54) PDE4BHPGDALDH1A1ALDH1A3TTR
SCHEMBL998425 0.83 PDE4B (0.59) PDE4BHPGDALDH1A1ALDH1A3TTR
SCHEMBL11455772 0.81 CSNK2A1 (0.43) PDE4BHPGDALDH1A1CSNK2A1TTR
SCHEMBL10080332 0.81 PDE4B (0.42) PDE4BHPGDALDH1A1ALDH1A3KDM4E
SCHEMBL16382600 0.81 PDE4B (0.40) PDE4BHPGDALDH1A1KDM4EPTPN1
SCHEMBL25369853 0.80 HPGD (0.59) PDE4BHPGDALDH1A1ALDH1A3CSNK2A1
SCHEMBL30694813 0.80 HPGD (0.59) PDE4BHPGDALDH1A1ALDH1A3CSNK2A1
SCHEMBL3358376 0.79 PDE4B (0.46) PDE4BTTRKDM4E

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-2010046926-A2 NOVEL STILBENE ANALOGS APTUIT LAURUS PVT LTD (IN) 2010-04-29 WO disclosed