SCHEMBL9359792

SCHEMBL9359792

C=C(C)C(=O)CCOC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)OCCC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 5/20 0.34
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SERPINE1 P05121 1/20 0.33
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 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
SCHEMBL30414145 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL3873330 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL28483500 0.84 CDC25A (0.40) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL1556947 0.82 THRB (0.47) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL4087259 0.82 THRB (0.47) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL7080186 0.82 THRB (0.47) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL931727 0.82 THRB (0.47) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL3873329 0.80 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1POLB
SCHEMBL10301525 0.79 KMT2A (0.41) ALDH1A1KMT2ATSHRTDP1L3MBTL1
SCHEMBL11202741 0.79 TSHR (0.41) ALDH1A1KMT2ATSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219058-B2 Polymerizable cement mixtures MUEHLBAUER ERNST KG (DE) 1994-10-12 EP disclosed
US-4872936-A UNSATURATED ACID MONOMERS (OR OLIGOMERS), REACTIVE FILLER AND CURING AGENTS ERNST MUHLBAUER KG (DE) 1989-10-10 US disclosed
US-4806381-A DENTISTRY, MEDICAL ADHESIVE ERNST MUHLBAUER KG (DE) 1989-02-21 US disclosed
US-4771112-A ADHESION PROMOTERS, FILLERS OR CEMENTS FOR DENTISTRY AND MEDICINE ERNST MUHLBAUER KG (DE) 1988-09-13 US disclosed
EP-0219058-A2 Polymerizable cement mixtures Ernst Mühlbauer KG (DE) 1987-04-22 EP disclosed
EP-0218248-A2 Compounds containing polymerizable acids and acid derivatives, compositions containing them and their use Ernst Mühlbauer KG (DE) 1987-04-15 EP disclosed