SCHEMBL5605585

SCHEMBL5605585

O=C(O)C/C1=C(CC(=O)O)/C(CC(=O)O)=C(/CC(=O)O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
CA2 P00918 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
FFAR1 O14842 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
ABCC4 O15439 1/20 0.32
PTGS1 P23219 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
RGS12 O14924 1/20 0.31
NFKB1 P19838 1/20 0.31
APEX1 P27695 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
SCHEMBL10721635 0.87 POLB (0.39) POLBCA2CAMK2AALDH1A1HTT
SCHEMBL28914492 0.76 RXRA (0.35) POLBCA2CAMK2AALDH1A1HTT
SCHEMBL903597 0.76 POLB (0.38) POLBCA2CAMK2AHTTLMNA
SCHEMBL11875776 0.73 POLB (0.33) POLBCA2CAMK2A
SCHEMBL9444660 0.73 POLB (0.33) POLBCA2CAMK2A
SCHEMBL29078656 0.72 RXRA (0.35) POLBRXRARXRBRXRG
SCHEMBL30872107 0.71 AKR1B1 (0.34) POLBCA2AKR1B1
SCHEMBL30872113 0.71 AKR1B1 (0.34) POLBCA2AKR1B1
SCHEMBL28717676 0.71 POLB (0.34) POLBAKR1B1
SCHEMBL9781967 0.70

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
EP-1745058-A1 CYCLOOLEFIN PHOSPHINE LIGANDS AND THEIR USE IN CATALYSIS Degussa GmbH (DE) 2007-01-24 EP disclosed
WO-2005108407-A1 CYCLOOLEFIN PHOSPHINE LIGANDS AND THEIR USE IN CATALYSIS DEGUSSA AG (DE) 2005-11-17 WO disclosed