SCHEMBL8323679

SCHEMBL8323679

CCOC(=O)C(CCCNC(=O)OC(C)(C)C)(CC1CCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PTPRB P23467 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
METAP2 P50579 1/20 0.34
DRD2 P14416 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL8328919 0.94 EPHX1 (0.46) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8331769 0.91 EPHX1 (0.44) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8329946 0.89 EPHX1 (0.49) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8327495 0.88 EPHX1 (0.46) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8328587 0.80 EPHX1 (0.33) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8800113 0.79 EPHX1 (0.44) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8800046 0.78 EPHX1 (0.43) EPHX1CTSSCTSKMEN1KMT2A
Potassium Ion SCHEMBL8798425 0.78 EPHX1 (0.45) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8798544 0.77 EPHX1 (0.47) EPHX1CTSSCTSKMEN1KMT2A
SCHEMBL8323683 0.77 METAP2 (0.39) CTSSCTSKMETAP2

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-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed