SCHEMBL9480893

SCHEMBL9480893

CC(O)C(O)COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
CA1 P00915 4/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
TACR1 P25103 4/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
SLC1A1 P43005 1/20 0.45

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
SCHEMBL21843055 1.00 KMT2A (0.62) KMT2ACA1CA2CA7CA9
SCHEMBL25032346 1.00 KMT2A (0.62) KMT2ACA1CA2CA7CA9
SCHEMBL29092265 0.89 KMT2A (0.62) KMT2ACA1CA2CA7CA9
SCHEMBL4385964 0.88 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL4382418 0.88 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL93708 0.88 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL93709 0.88 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL10591450 0.87 KMT2A (0.60) KMT2ACA1CA2CA7CA9
SCHEMBL19186293 0.85 KMT2A (0.59) KMT2ACA1CA2CA7CA9
SCHEMBL23297669 0.85 KMT2A (0.59) KMT2ACA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359290-B1 AROMATIC DIOLS GLAXO GROUP LIMITED (GB) 1993-08-04 EP disclosed
US-5190967-A Sexual dysfunction GLAXO GROUP LIMITED (GB) 1993-03-02 US disclosed
EP-0460912-A2 Medicaments for the treatment of sexual disorder GLAXO GROUP LIMITED (GB) 1991-12-11 EP disclosed
US-5032603-A Tranquilizers GLAXO GROUP LIMITED (GB) 1991-07-16 US disclosed
EP-0407016-A2 Use of benzodioxinopyrrole derivatives in the manufacture of a medicament for the treatment of anxiety GLAXO GROUP LIMITED (GB) 1991-01-09 EP disclosed
EP-0162593-B1 HETEROCYCLIC AMINO COMPOUNDS GLAXO GROUP LIMITED (GB) 1990-08-16 EP disclosed
EP-0359290-A1 Aromatic diols GLAXO GROUP LIMITED (GB) 1990-03-21 EP disclosed
EP-0162593-A1 Heterocyclic amino compounds GLAXO GROUP LIMITED (GB) 1985-11-27 EP disclosed