SCHEMBL1021752

SCHEMBL1021752

CCCCC1=C(c2ccc(C(=O)O)cc2)C(=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.55
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.39
RXRA P19793 1/20 0.39
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL1025827 0.84 PTPN11 (0.44) RARBKMT2ARXRA
SCHEMBL1021907 0.82 RARB (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1021908 0.82 RARB (0.51) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1022110 0.81 PTGS1 (0.46) ALDH1A1PTGS1
SCHEMBL1023950 0.79 PTPN1 (0.42) PTGS1
SCHEMBL1024053 0.77 PTGS2 (0.54) PTGS1
SCHEMBL1020565 0.77 PTGS1 (0.44) ALDH1A1MAPTPTGS1
SCHEMBL1021200 0.76 PTGS1 (0.31) PTGS1
SCHEMBL1022880 0.75 BRD4 (0.39) RARBALDH1A1MAPTNPC1RAB9A
SCHEMBL1021572 0.74 PTGS2 (0.38) MEN1MAPTKMT2ATSHRPTGS1

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