SCHEMBL8867927

SCHEMBL8867927

NCc1ccc(CC[O])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
LOXL2 Q9Y4K0 7/20 0.50
ABAT P80404 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PSIP1 O75475 1/20 0.43
TPSAB1 Q15661 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL10540891 0.85 GFER (0.42) CA1CA2CA12CA4CA6
SCHEMBL15828 0.78 HRH3 (0.79) HRH3LOXL2ABATCA1CA2
SCHEMBL1994985 0.78 GFER (0.68) LOXL2CA1CA2CA12CA6
SCHEMBL6312084 0.77 HRH3 (0.58) HRH3LOXL2ABATCA1CA2
SCHEMBL31524115 0.77 HRH3 (0.58) HRH3LOXL2ABATTAAR1F10
SCHEMBL2642760 0.77 LOXL2 (0.63) HRH3LOXL2ABATTAAR1
Formaldehyde SCHEMBL28778127 0.76 HRH3 (0.65) HRH3LOXL2ABATCA1CA2
Bromide SCHEMBL29198706 0.75 HRH3 (0.73) HRH3LOXL2ABATCA1CA2
Iodide SCHEMBL29191162 0.75 HRH3 (0.73) HRH3LOXL2ABATCA1CA2
Iodide SCHEMBL28395414 0.75 HRH3 (0.73) HRH3LOXL2ABATCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed