SCHEMBL9003582

SCHEMBL9003582

C=Cc1ccc(COCC(O)COC2CC(C)(C)N(C)C(C)(C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 3/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL8888653 0.84 KDM4E (0.41) HTTUSP2NPSR1POLBTSHR
SCHEMBL8838455 0.80 ADRB2 (0.41) TSHRHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL9003678 0.80 POLB (0.45) GAAMAPK1CA1CA2POLB
SCHEMBL17075344 0.75 GAA (0.38) HTTGAAKMT2AMEN1ALDH1A1
SCHEMBL8385394 0.73
SCHEMBL17075343 0.73 MEN1 (0.34) CA1CA2POLBCA9KMT2A
SCHEMBL24246793 0.72 NAAA (0.35) TSHRKMT2AMEN1
SCHEMBL10299821 0.72 MEN1 (0.33) HTTKMT2ACYP3A4CYP2C9MEN1
SCHEMBL22154463 0.71 GAA (0.33) HTTGAAKMT2AMEN1
SCHEMBL68625 0.71 CYP19A1 (0.38) HTTGAATSHRKMT2AMEN1

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-5541274-A Polymeric adducts of hindered amine-epoxides as stabilizers CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed