SCHEMBL3680326

SCHEMBL3680326

CCN(CC)OC(=O)c1ccccc1ON(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CTSD P07339 1/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCRTR1 O43613 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL28177697 0.85 HCRTR1 (0.54) ALDH1A1L3MBTL1LMNAKDM4EHSD17B10
SCHEMBL11465524 0.84 HSD17B10 (0.58) TSHRALDH1A1LMNAKDM4EHSD17B10
Hydrochloric Acid SCHEMBL28177624 0.84 HCRTR1 (0.53) ALDH1A1L3MBTL1LMNAKDM4EHSD17B10
SCHEMBL6757031 0.83 KDM4E (0.54) TSHRALDH1A1LMNAKDM4EHSD17B10
Hydrochloric Acid SCHEMBL28177658 0.83 HSD17B10 (0.56) TSHRALDH1A1LMNAKDM4EHSD17B10
Acetic Acid SCHEMBL27831573 0.81 HCRTR1 (0.50) ALDH1A1L3MBTL1LMNAKDM4EMAPT
SCHEMBL28528772 0.81 SLC6A3 (0.48) TSHRALDH1A1LMNAKDM4ESCN1A
SCHEMBL28860380 0.81 MAPT (0.54) TSHRCTSDALDH1A1LMNAKDM4E
SCHEMBL11525749 0.81 TSHR (0.46) TSHRALDH1A1L3MBTL1LMNASCN1A
SCHEMBL28189905 0.79 TSHR (0.48) TSHRALDH1A1L3MBTL1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741244-B2 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2010-06-22 US claimed
US-20040266852-A1 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2004-12-30 US claimed
WO-2003059063-A1 FUNGICIDE COMPOSITIONS SUMMERDALE, INC. (US) 2003-07-24 WO claimed
CN-111440069-A Synthesis process of disalicylate 湖南环境生物职业技术学院 2020-07-24 CN disclosed
US-7820594-B2 Pesticide compositions and methods for their use WESTBRIDGE AGRICULTURAL PRODUCTS 2010-10-26 US disclosed
US-7741244-B2 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2010-06-22 US disclosed
US-20070249699-A1 PESTICIDE COMPOSITIONS AND METHODS FOR THEIR USE WESTBRIDGE AGRICULTURAL PRODUCTS 2007-10-25 US disclosed
US-20040266852-A1 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2004-12-30 US disclosed
EP-1014926-B1 THERAPEUTIC AND COSMETIC COMPOSITIONS, THEIR USE AND METHOD FOR THE PREPARATION THEREOF INTERHEALTH AB (SE) 2004-02-04 EP disclosed
WO-2003059063-A1 FUNGICIDE COMPOSITIONS SUMMERDALE, INC. (US) 2003-07-24 WO disclosed
EP-1014926-A1 THERAPEUTIC AND COSMETIC COMPOSITIONS, THEIR USE AND METHOD FOR THE PREPARATION THEREOF InterHealth AB (SE) 2000-07-05 EP disclosed
WO-1998022083-A1 THERAPEUTIC AND COSMETIC COMPOSITIONS, THEIR USE AND METHOD FOR THE PREPARATION THEREOF INTERHEALTH AB (SE) 1998-05-28 WO disclosed
EP-0329268-A2 Glass ionomer dental cement curable in two stages Kerr Manufacturing Company (a Delaware corporation) (US) 1989-08-23 EP disclosed