SCHEMBL7899344

SCHEMBL7899344

C=NC(=C)C(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
EPHX1 P07099 1/20 0.32
MLYCD O95822 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL18469696 0.77
SCHEMBL3073891 0.74 CA12 (0.48) TSHRCA12CA1CA2MMP1
SCHEMBL3804217 0.74
SCHEMBL14951 0.74
SCHEMBL24091425 0.72
SCHEMBL16433801 0.72
SCHEMBL6566443 0.72
SCHEMBL25762120 0.71 MLYCD (0.40) TSHRCA12CA1CA2MMP1
Isopropyl Alcohol SCHEMBL2342152 0.70 TGFBR1 (0.47) TSHRCA12CA1CA2MMP1
SCHEMBL1434940 0.70 TSHR (0.41) TSHRCA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6171386-B1 HYDRAULIC CEMENTS AND WATER WITH POLYMER LATEX AN INTERPOLYMER LATEX IN AN AMOUNT FROM ABOUT 10% TO 50% BY WEIGHT OF CEMENT, THE INTERPOLYMER LATEX, COMPRISING DIENE, VINYL AROMATIC MONOMERS AND METH(ACRYLIC ACID MONOMERS BENCHMARK RESEARCH& TECHNOLOGY INC. 2001-01-09 US claimed