SCHEMBL8998082

SCHEMBL8998082

CC(CN1CCCC1)Oc1ccccc1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
LTA4H P09960 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
PLK1 P53350 2/20 0.48
MCHR1 Q99705 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL24200105 0.83 CXCL8 (0.50) L3MBTL1
SCHEMBL8086435 0.83 CXCL8 (0.50) L3MBTL1
SCHEMBL7332028 0.81 MEN1 (0.45) PLK1MEN1KMT2ASIGMAR1L3MBTL1
SCHEMBL3941649 0.78 CXCL8 (0.54) L3MBTL1TSHR
SCHEMBL23229157 0.78 CXCL8 (0.54) POLBKMT2AL3MBTL1
SCHEMBL8998039 0.76 CXCL8 (0.47) L3MBTL1
SCHEMBL6689255 0.75 ALDH1A1 (0.44) POLBNPSR1PLK1MEN1KMT2A
SCHEMBL8475269 0.74 L3MBTL1 (0.74) POLBMEN1KMT2AL3MBTL1
SCHEMBL7332018 0.74 HRH1 (0.67) MEN1KMT2AL3MBTL1TSHR
SCHEMBL4565147 0.74 LTB4R (0.54) MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US disclosed
US-5484942-A Thiopyranopyrrole derivatives RHONE-POULENC RORER S.A. (FR) 1996-01-16 US disclosed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 US disclosed