SCHEMBL11113058

SCHEMBL11113058

CC1(C)CC(=O)C(C=O)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 13/20 0.55
KMT2A Q03164 5/20 0.55
HTT P42858 1/20 0.55
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 3/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11108623 0.73 MAPT (0.38) MAPTALDH1A1KMT2AHTTPOLB
SCHEMBL8154627 0.72 MAPT (1.00) MAPTALDH1A1KMT2AHTTPOLB
SCHEMBL12108603 0.72 ALDH1A1 (0.35) MAPTALDH1A1KMT2AHTT
SCHEMBL368265 0.70 MAPT (0.56) MAPTALDH1A1KMT2AHTTPOLB
SCHEMBL5612700 0.70 MAPT (0.70) MAPTALDH1A1KMT2AHTTPOLB
SCHEMBL5173977 0.69
SCHEMBL9348170 0.69 MAPT (0.54) MAPTALDH1A1KMT2AHTTPOLB
SCHEMBL432006 0.69 MAPT (0.54) MAPTALDH1A1KMT2AHTTPOLB
SCHEMBL305185 0.69 MAPT (0.54) MAPTALDH1A1KMT2AHTTPOLB
SCHEMBL20036958 0.69 MAPT (0.54) MAPTALDH1A1KMT2AHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-4474952-A ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1984-10-02 US disclosed
EP-0036835-B1 PROCESS FOR THE PREPARATION OF METAL COMPLEXES OF ISOINDOLINE AZINES CIBA-GEIGY AG (CH) 1983-09-28 EP disclosed
US-4367333-A PLASTICS CIBA-GEIGY CORPORATION (US) 1983-01-04 US disclosed
US-4366312-A Metal complexes of isoindolinazines, process for their preparation and use CIBA-GEIGY CORPORATION (US) 1982-12-28 US disclosed
EP-0036835-A1 Process for the preparation of metal complexes of isoindoline azines CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0036389-A2 Metal complexes of isoindoline azines, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-09-23 EP disclosed