SCHEMBL8749496

SCHEMBL8749496

CC(=O)OC1(c2cccc3ccccc23)COO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 4/20 0.35
KIF11 P52732 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL8752796 0.77 MAPT (0.40) MAPTMEN1KMT2ANPSR1SLC6A3
SCHEMBL7597192 0.75 GAA (0.40) MEN1KMT2ANPSR1SLC6A3SLC6A2
SCHEMBL706765 0.68 NR4A1 (0.42) MAPTMEN1KMT2ANPSR1SLC6A3
SCHEMBL9177201 0.68 SLC6A3 (0.36) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL12020292 0.66 SLC6A3 (0.46) MAPTMEN1KMT2ANPSR1SLC6A3
SCHEMBL6983419 0.66 KDM4E (0.38) MAPTMEN1KMT2ANPSR1SLC6A3
SCHEMBL9766963 0.65 CHRM2 (0.37) MEN1KMT2ASLC6A3SLC6A2SLC6A4
Alpha-Naphthylacetate SCHEMBL8749472 0.65 ALDH1A1 (0.57) MEN1KMT2ASLC6A3KDM4EMAPK1
SCHEMBL27926942 0.65 SLC6A3 (0.53) MAPTMEN1KMT2ANPSR1SLC6A3
SCHEMBL11608127 0.65 NR4A1 (0.46) MAPTMEN1KMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP claimed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP claimed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP claimed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 WO claimed
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed