SCHEMBL5692829

SCHEMBL5692829

CCOc1cc(/C=C/c2ccc(O)cc2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
MAPT P10636 3/20 0.52
TOP2A P11388 1/20 0.51
MAOB P27338 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47

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
SCHEMBL5692834 1.00 TRPA1 (0.53) TRPA1MAPTTOP2AMAOBABCG2
SCHEMBL5692899 0.84 MAOB (0.62) MAPTMAOBABCG2ALDH1A1SMN1; SMN2
SCHEMBL5692896 0.84 MAOB (0.62) MAPTMAOBABCG2ALDH1A1SMN1; SMN2
SCHEMBL8335667 0.83 TSHR (0.53) LMNAALDH1A1KDM4ECA12CA1
SCHEMBL27772546 0.82 LMNA (0.57) TRPA1MAPTTOP2AMAOBLMNA
SCHEMBL4005105 0.81 TSHR (0.47) TRPA1MAPTTOP2ALMNAALDH1A1
SCHEMBL27772674 0.77 TUBB1 (0.67) TRPA1MAPTTOP2AMAOBLMNA
SCHEMBL5692906 0.77 TOP2A (0.66) TRPA1MAPTTOP2AMAOBALDH1A1
SCHEMBL5692908 0.77 TOP2A (0.66) TRPA1MAPTTOP2AMAOBALDH1A1
SCHEMBL5692874 0.75 TSHR (0.50) MAPTTOP2AMAOBABCG2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905164-B1 Liquid crystalline polyester compositions and their uses NIPPON MITSUBISHI OIL CORP (JP) 2006-05-03 EP disclosed
US-5989758-A EXHIBIT A LIQUID CRYSTALLINE PHASE AT TIME OF FUSION, WHICH CAN BE FIXED UPON COOLING BELOW THE LIQUID CRYSTALLINE TRANSITION TEMPERATURE; SPECIFIC MONOMERS 4,4'-STILBENEDIOLS, CATECHOLS, AND 4'-HYDROXY-4-STILBENECARBOXYLIC ACIDS NIPPON OIL COMPANY, LIMITED (JP) 1999-11-23 US disclosed
EP-0905164-A2 Liquid crystalline polyesters, their composition, and their uses NIPPON OIL CO., LTD. (JP) 1999-03-31 EP disclosed