SCHEMBL7844592

SCHEMBL7844592

C[CH]c1ccc(C(=O)OCC)c(C(=O)OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
MCL1 Q07820 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CDC25B P30305 1/20 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
SCHEMBL8974976 0.86 TSHR (0.56) TSHRCA12CA1CA2CA7
SCHEMBL21052519 0.85 MCL1 (0.57) TSHRCA12CA1CA2CA7
SCHEMBL301748 0.78 TSHR (0.64) TSHRCA12CA1CA2CA7
SCHEMBL6072487 0.78 MCL1 (0.54) TSHRCA12CA1CA2CA7
SCHEMBL346578 0.77 TSHR (0.67) TSHRCA12CA1CA2CA7
SCHEMBL29843135 0.77 CA12 (0.62) TSHRCA12CA1CA2CA7
SCHEMBL7216243 0.77 CA1 (0.63) TSHRCA12CA1CA2CA7
SCHEMBL321387 0.77 CA12 (0.62) TSHRCA12CA1CA2CA7
SCHEMBL4627095 0.77 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10449048 0.77 CA12 (0.77) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1084330-C Cydic amide derivatives OTSUKA PHARMA CO LTD (JP) 2002-05-08 CN disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 CN disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed