SCHEMBL1975005

SCHEMBL1975005

C1=CC2CCC1C2.CCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL1976597 0.87 EPHX2 (0.40)
SCHEMBL28849565 0.75 LMNA (0.47) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5268 0.75
Cyclohexane SCHEMBL6740252 0.73 PTGS1 (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11516272 0.72 SMYD3 (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19
Butane SCHEMBL25220481 0.72 LMNA (0.45) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL22581628 0.72
SCHEMBL20533540 0.72
SCHEMBL20533675 0.72
SCHEMBL20533802 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765894-B2 Norbornene-type polymers having quaternary ammonium functionality PROMERUS, LLC (US) 2014-07-01 US disclosed
US-8765893-B2 Norbornene-type polymers having quaternary ammonium functionality PROMERUS, LLC (US) 2014-07-01 US disclosed
EP-2510036-A2 NORBORNENE-TYPE POLYMERS HAVING QUATERNARY AMMONIUM FUNCTIONALITY Promerus LLC (US) 2012-10-17 EP disclosed
US-20110244368-A1 NORBORNENE-TYPE POLYMERS HAVING QUATERNARY AMMONIUM FUNCTIONALITY PROMERUS LLC (US) 2011-10-06 US disclosed
US-20110143260-A1 NORBORNENE-TYPE POLYMERS HAVING QUATERNARY AMMONIUM FUNCTIONALITY PROMERUS LLC (US) 2011-06-16 US disclosed
WO-2011072304-A2 NORBORNENE-TYPE POLYMERS HAVING QUATERNARY AMMONIUM FUNCTIONALITY PROMERUS LLC (US) 2011-06-16 WO disclosed