SCHEMBL3731330

SCHEMBL3731330

C=CC(=O)OC(C=C)N(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.38
HPGD P15428 1/20 0.37
FDPS P14324 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 2/20 0.32
PGR P06401 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL500294 0.81 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14923 0.78 TSHR (0.44) TSHRHPGDFDPSALDH1A1TP53
SCHEMBL2363391 0.78 LMNA (0.42) TSHRALDH1A1
SCHEMBL4543468 0.78 TSHR (0.36) TSHRFDPSMMP1MMP2MMP3
SCHEMBL1583138 0.78 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10733574 0.77 TSHR (0.31) TSHRHPGD
SCHEMBL20821 0.77 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL28293803 0.77 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11424256 0.77 TSHR (0.37) TSHRHPGDFDPSALDH1A1TP53
SCHEMBL8070289 0.76 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A

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
US-4948739-A DISPERSING METAL CARBONYL COMPLEX IN SWOLLEN POLYMER, DECOMPOSING COMPLEX TO ENCAPSULATE METAL IN POLYMERIC MATRIX RHONE-POULENC CHIMIE (FR) 1990-08-14 US claimed
EP-1438354-B1 CELLULOSE MATERIAL WITH IMPROVED ABSORBENCY EVONIK STOCKHAUSEN LLC (US) 2010-11-03 EP disclosed
US-7482058-B2 Preparing a slurry of an aqueous solution of pre-superabsorbent polymer and cellulose, filtering and heat treating the slurry; agricultural products, fiber optic cables, power cables, water blocking tapes, insulation, hygiene articles EVONIK STOCKHAUSEN GMBH (DE) 2009-01-27 US disclosed
US-20050020771-A1 Preparing a slurry of an aqueous solution of pre-superabsorbent polymer and cellulose, filtering and heat treating the slurry; agricultural products, fiber optic cables, power cables, water blocking tapes, insulation, hygiene articles EVONIK SUPERABSORBER GMBH (DE) 2005-01-27 US disclosed
EP-1438354-A1 CELLULOSE MATERIAL WITH IMPROVED ABSORBENCY Stockhausen Inc. (US) 2004-07-21 EP disclosed
WO-2003025054-A1 CELLULOSE MATERIAL WITH IMPROVED ABSORBENCY STOCKHAUSEN INC. (US) 2003-03-27 WO disclosed