SCHEMBL8328587

SCHEMBL8328587

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
METAP2 P50579 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTPRB P23467 1/20 0.30

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 0.85 EPHX1 (0.46) EPHX1METAP2CTSSCTSKTSHR
SCHEMBL8329946 0.81 EPHX1 (0.49) EPHX1METAP2CTSSCTSKTSHR
SCHEMBL8323679 0.80 EPHX1 (0.44) EPHX1METAP2CTSSCTSKTSHR
SCHEMBL8327178 0.80 BCHE (0.39) METAP2TSHRMEN1KMT2A
SCHEMBL11005384 0.79 CYP1A2 (0.42) METAP2TSHRMEN1KMT2A
SCHEMBL8332090 0.78 METAP2 (0.38) EPHX1METAP2CTSSCTSKTSHR
SCHEMBL8331369 0.78 MEN1 (0.36) EPHX1METAP2TSHRMEN1KMT2A
SCHEMBL8331541 0.76 SIGMAR1 (0.38) METAP2MEN1KMT2A
SCHEMBL8329421 0.76 METAP2 (0.40) EPHX1METAP2MEN1KMT2A
SCHEMBL8327495 0.76 EPHX1 (0.46) EPHX1CTSSCTSKTSHRMEN1

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