SCHEMBL1022356

SCHEMBL1022356

CCCCC1=C(c2cccc(N)c2)C(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
CREBBP Q92793 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.36
GRM2 Q14416 1/20 0.35
MAOA P21397 1/20 0.35
BRD9 Q9H8M2 1/20 0.34
PARP1 P09874 2/20 0.33
PRKCA P17252 1/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP2 O95551 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ENPP2 Q13822 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
SCHEMBL1021653 0.84 KDM4E (0.37)
SCHEMBL1020035 0.83 ESR1 (0.40) GRM2PTGS2
SCHEMBL1021433 0.83 NPC1 (0.36) PTGS1PTGS2TDP2
SCHEMBL1021866 0.81 CHRNB4 (0.38) CNR2
SCHEMBL1022920 0.81 BRD4 (0.42) BRD4CNR1CNR2GRM2
SCHEMBL1021059 0.80 TLR8 (0.40) CNR2PARP1
SCHEMBL1023458 0.80 CNR1 (0.39) BRD4CREBBPCNR1CNR2TSHR
SCHEMBL1023457 0.80 CNR1 (0.39) BRD4CREBBPCNR1CNR2TSHR
SCHEMBL1025827 0.80 PTPN11 (0.44)
SCHEMBL1020478 0.80 MAPT (0.45) BRD4CREBBPSMN1; SMN2

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
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed