SCHEMBL6974764

SCHEMBL6974764

CCC[CH]C(=O)OCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.39
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HCAR2 Q8TDS4 4/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP19A1 P11511 1/20 0.36
PKM P14618 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL6973751 0.89 ATM (0.46) TDP1LMNAATMTSHRHCAR2
SCHEMBL127970 0.85 HCAR2 (0.46) TDP1LMNAATMTSHRHCAR2
SCHEMBL6969651 0.84 TDP1 (0.44) TDP1LMNAATMTSHRCA12
SCHEMBL127788 0.82 TSHR (0.57) ATMTSHRHCAR2HPGDALDH1A1
SCHEMBL128687 0.81 ATM (0.55) TDP1LMNAATMTSHRHCAR2
SCHEMBL126105 0.81 HCAR2 (0.54) TDP1LMNAATMTSHRHCAR2
SCHEMBL130609 0.78 ATM (0.65) TDP1LMNAATMTSHRHCAR2
SCHEMBL2475186 0.77 TDP1 (0.56) TDP1LMNAATMTSHRCA12
SCHEMBL2478667 0.77 TDP1 (0.56) TDP1LMNAATMTSHRCA12
SCHEMBL2475190 0.77 TDP1 (0.56) TDP1LMNAATMTSHRCA12

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
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed