SCHEMBL1021572

SCHEMBL1021572

CCCCC1=C(c2ccc(Cl)c(Cl)c2)C(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.38
PTGS1 P23219 4/20 0.38
ALKBH3 Q96Q83 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
PGR P06401 1/20 0.37
AHR P35869 1/20 0.36
SLC6A3 Q01959 3/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CTRC Q99895 1/20 0.35
BRD9 Q9H8M2 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL1023688 0.84 PTGS2 (0.51) PTGS2PTGS1PGRKDM4EMEN1
SCHEMBL1022880 0.81 BRD4 (0.39) PTGS2PTGS1KDM4EMAPTPKM
SCHEMBL1022350 0.80 PTGS2 (0.49) PTGS2PTGS1PGR
SCHEMBL1023762 0.80 HSD17B1 (0.39) PTGS2KDM4EPKM
SCHEMBL1021263 0.80 MAPK1 (0.35) SIGMAR1AHRSLC6A3AKR1C2AKR1C1
SCHEMBL1021262 0.80 MAPK1 (0.35) SIGMAR1AHRSLC6A3AKR1C2AKR1C1
SCHEMBL1022344 0.79 RARB (0.45) MEN1MAPTKMT2A
SCHEMBL1022415 0.78 CYP19A1 (0.45) KDM4EMAPTPDE3BPDE3A
SCHEMBL1022110 0.78 PTGS1 (0.46) PTGS2PTGS1USP2HTT
SCHEMBL1021653 0.77 KDM4E (0.37) PGRKDM4EMAPTHTT

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