SCHEMBL470311

SCHEMBL470311

COC1=CC=CCC1c1[nH]nc(C)c1C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 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
SCHEMBL903101 0.80 NOTUM (0.41)
SCHEMBL470313 0.68
SCHEMBL29463552 0.67 HCAR2 (0.50) PDE4D
SCHEMBL29409964 0.63 PDE4D (0.43) PDE4D
SCHEMBL470472 0.61 NOTUM (0.42)
SCHEMBL902697 0.60 GAA (0.32)
SCHEMBL1663754 0.59 PDE4D (0.59) PDE4D
SCHEMBL903082 0.59 ALDH1A1 (0.33)
SCHEMBL4765285 0.58 SMN1; SMN2 (0.56)
SCHEMBL8238104 0.57

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-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed