SCHEMBL8331369

SCHEMBL8331369

CCNCCC(CC1CCCCC1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
METAP2 P50579 2/20 0.35
ATM Q13315 2/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL8329421 0.84 METAP2 (0.40) MEN1KMT2AMETAP2ATMTHRB
SCHEMBL8329946 0.82 EPHX1 (0.49) MEN1KMT2AMETAP2ALDH1A1TDP1
SCHEMBL11005384 0.81 CYP1A2 (0.42) MEN1KMT2AMETAP2ATMTHRB
SCHEMBL8327178 0.80 BCHE (0.39) MEN1KMT2AMETAP2ATMTHRB
SCHEMBL5413788 0.79 KDM4E (0.38) MEN1KMT2AMETAP2ATMTHRB
SCHEMBL8331541 0.79 SIGMAR1 (0.38) MEN1KMT2AMETAP2ATMTHRB
SCHEMBL8332090 0.79 METAP2 (0.38) MEN1KMT2AMETAP2TSHREPHX1
SCHEMBL8328919 0.79 EPHX1 (0.46) MEN1KMT2AMETAP2ALDH1A1TDP1
SCHEMBL8328587 0.78 EPHX1 (0.33) MEN1KMT2AMETAP2TSHREPHX1
SCHEMBL7046038 0.77 METAP2 (0.38) MEN1KMT2AMETAP2ATMTHRB

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-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed