SCHEMBL6587457

SCHEMBL6587457

COc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
USP30 Q70CQ3 1/20 0.44
ALK Q9UM73 1/20 0.43
SCD5 Q86SK9 1/20 0.43
TSHR P16473 2/20 0.43
GPR119 Q8TDV5 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.42
PDK2 Q15119 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6586105 0.90 ALDH1A1 (0.52) ROCK2USP30ALDH1A1BACE1
SCHEMBL6582370 0.87 EPHX1 (0.49) USP30SCD5TSHRGPR119ALOX15
SCHEMBL3892757 0.86 GPR119 (0.46) USP30SCD5TSHRGPR119ALOX15
SCHEMBL6585193 0.86 MMP13 (0.45) ROCK2ALKGPR119PDE4APDE4B
SCHEMBL6586224 0.84 TACR1 (0.48) USP30SCD5TSHRALOX15ATM
SCHEMBL3893444 0.83 USP30 (0.51) USP30SCD5TSHRGPR119ALOX15
SCHEMBL519566 0.82 KDM4E (0.44) TSHRALOX15ATMPDE4APDE4B
SCHEMBL3078681 0.82 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8610935 0.82 USP30 (0.56) USP30SCD5TSHRGPR119ALOX15
SCHEMBL16874615 0.80 KDM4E (0.47) GPR119PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed