SCHEMBL8895979

SCHEMBL8895979

CC(C)OC(=O)[C@@H](O)CCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.45
▸ METAP1 P53582 1/20 0.40
▸ CTSK P43235 4/20 0.38
▸ CTSL P07711 3/20 0.37
▸ CTSB P07858 3/20 0.37
▸ CTSH P09668 2/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL16732152 0.85 METAP2 (0.43) METAP2METAP1CTSKCTSLCTSB
SCHEMBL16732255 0.83 METAP2 (0.41) METAP2METAP1CTSKCTSLCTSB
SCHEMBL7293924 0.82 METAP2 (0.35) METAP2
SCHEMBL10959631 0.81 METAP2 (0.56) METAP2METAP1MMP2EPHX1
SCHEMBL10959638 0.81 METAP2 (0.56) METAP2METAP1MMP2EPHX1
Hydrochloric Acid SCHEMBL10523043 0.81 METAP2 (0.46) METAP2METAP1MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL10523064 0.81 METAP2 (0.46) METAP2METAP1MMP1MMP2MMP3
SCHEMBL8745902 0.79 METAP1 (0.46) METAP2METAP1EPHX1
SCHEMBL8745887 0.79 METAP1 (0.42) METAP2METAP1EPHX1SMN1; SMN2
SCHEMBL8201992 0.77 METAP2 (0.42) METAP2METAP1MMP1MMP2MMP3

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-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 — — US disclosed
Send feedback