SCHEMBL2500697

SCHEMBL2500697

OCC1=C(c2ccccc2)C2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 3/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
LMNA P02545 1/20 0.33
PRKAA2 P54646 1/20 0.33
NOTUM Q6P988 1/20 0.33
TSHR P16473 1/20 0.32
PTGS2 P35354 1/20 0.32
SLC18A3 Q16572 2/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
HRH1 P35367 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL444972 0.81 PTGS2 (0.35) CHRNB2CHRNA4NPC1RAB9ASLC6A3
SCHEMBL3902761 0.80 PTGS2 (0.43) CHRNB2CHRNA4NPC1RAB9ASLC6A3
SCHEMBL3902729 0.79 HRH3 (0.37)
SCHEMBL5620740 0.72
SCHEMBL2779049 0.71 PTGS2 (0.38) CHRNB2CHRNA4NPC1RAB9ASLC6A3
SCHEMBL10735200 0.66 TAAR1 (0.44) SLC6A3TSHRSLC18A3
SCHEMBL10742513 0.66 KDM4E (0.39) RAB9ASLC6A3CD274
SCHEMBL3900259 0.64 APP (0.41) CHRNB2CHRNA4NPC1RAB9ALMNA
SCHEMBL3900801 0.63 KDM4E (0.44) CHRNB2CHRNA4NPC1RAB9ASLC6A3
SCHEMBL21461389 0.62 LMNA (0.43) LMNATSHRHRH1PDCD1CD274

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
US-8765894-B2 Norbornene-type polymers having quaternary ammonium functionality PROMERUS, LLC (US) 2014-07-01 US disclosed
US-20110244368-A1 NORBORNENE-TYPE POLYMERS HAVING QUATERNARY AMMONIUM FUNCTIONALITY PROMERUS LLC (US) 2011-10-06 US disclosed