SCHEMBL11375166

SCHEMBL11375166

COC(=O)[CH]c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.56
F3 P13726 2/20 0.55
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP2A6 P11509 1/20 0.54
THRB P10828 1/20 0.53
ATM Q13315 1/20 0.53
CYP1A2 P05177 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL11373368 0.82 MAPT (0.54) ALDH1A1SMN1; SMN2CYP3A4MAPTPOLB
SCHEMBL16115920 0.81 L3MBTL1 (0.55) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL7279240 0.81 F3 (0.49) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL11371533 0.81 TDP1 (0.48) ALDH1A1CYP2A6THRBATMSMN1; SMN2
SCHEMBL10999566 0.81 THRB (0.66) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL2478128 0.81 PARP10 (0.57) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL5749467 0.81 CA1 (0.66) F3ALDH1A1CYP1A2MAPTKMT2A
SCHEMBL30105639 0.80 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL2477032 0.80 HDAC8 (0.56) GSK3BF3HDAC3HDAC1HDAC2
SCHEMBL1237222 0.80 GSK3B (0.73) GSK3BF3HDAC3HDAC1HDAC2

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-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
EP-0005507-A1 Process for the fragmentation of 3-(2-hydroxyimino-acetylamino)-2-oxo azetidin compounds and compounds obtained thereby CIBA-GEIGY AG (CH) 1979-11-28 EP disclosed