SCHEMBL10883156

SCHEMBL10883156

CCOC(=O)C(Cc1ccc(C(C)C)cc1)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
ACACB O00763 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
TSHR P16473 2/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42

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
SCHEMBL1312803 0.89 MMP8 (0.62) MMP8L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL2672619 0.84 MMP8 (0.54) MMP8NPC1RAB9ALMNAHTT
SCHEMBL7260547 0.84 MMP8 (0.54) MMP8LMNAHTTMEN1KMT2A
SCHEMBL8233788 0.84 PTPRB (0.56) NPC1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL6711568 0.84 MMP8 (0.57) MMP8LMNAHTTSMN1; SMN2MEN1
SCHEMBL5752702 0.83 EPHX2 (0.48) MMP8NPC1RAB9AL3MBTL1LMNA
SCHEMBL18946161 0.82 MMP8 (0.59) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL5800254 0.82 MMP8 (0.55) MMP8ALDH1A1TP53NPY1RNPY2R
Hydrochloric Acid SCHEMBL20543725 0.82 LMNA (0.47) MMP8NPC1RAB9AL3MBTL1LMNA
SCHEMBL7436472 0.81 MMP8 (0.54) MMP8LMNAMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075896-B1 PHARMACEUTICAL AMIDES, AND PREPARATION, FORMULATIONS AND USE THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-26 EP disclosed
US-4504492-A ENKEPHALINASE INHIBITOR BURROUGHS WELLCOME CO. (US) 1985-03-12 US disclosed
EP-0075896-A2 Pharmaceutical amides, and preparation, formulations and use thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-06 EP disclosed