SCHEMBL9630150

SCHEMBL9630150

COC(=O)c1ccc(Oc2ccc(CC(C)=O)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HSP90AA1 P07900 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
P2RX3 P56373 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL10746960 0.85 POLB (0.49) POLBNPC1RAB9AHSP90AA1KMT2A
SCHEMBL28105591 0.84 CA1 (0.50) HTTNPC1RAB9AHSP90AA1KMT2A
SCHEMBL15881210 0.82 HTT (0.46) HTTNPC1RAB9AHSP90AA1KMT2A
SCHEMBL9630876 0.77 RAB9A (0.77) HTTPOLBNPC1RAB9AHSP90AA1
SCHEMBL10774498 0.77 POLB (0.66) HTTPOLBRAB9AKMT2AMEN1
SCHEMBL27145822 0.75 ALDH1A1 (0.47) HTTPOLBNPC1RAB9AHSP90AA1
SCHEMBL9262585 0.74 HTT (0.59) HTTPOLBKMT2AMEN1CYP2C19
SCHEMBL19442049 0.73 HTT (0.58) HTTPOLBNPC1RAB9AHSP90AA1
SCHEMBL9668826 0.73 KMT2A (0.54) HTTPOLBNPC1RAB9AHSP90AA1
SCHEMBL7151482 0.72 LOXL2 (0.63) NPC1RAB9AKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed