SCHEMBL7157294

SCHEMBL7157294

C=CCOCC=C.C=CCOO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.32

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
SCHEMBL16402639 0.90 TSHR (0.38) CA1CA2CA7CA9ALDH1A1
SCHEMBL30799 0.90
Ammonia Solution, Strong SCHEMBL2843472 0.87
Water SCHEMBL9234425 0.87
SCHEMBL1576598 0.87
SCHEMBL4136564 0.87 CA1 (0.44) CA1CA2CA7CA9ALDH1A1
Hydrogen Peroxide SCHEMBL11812678 0.83
SCHEMBL15068452 0.83 CA1 (0.46) CA1CA2CA7CA9ALDH1A1
SCHEMBL15584 0.83
Benzene SCHEMBL3664089 0.81 CYP3A4 (0.38) CA1CA2CA7ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106692120-A Medicine composition of lidocaine and application of medicine composition 刘力 2017-05-24 CN disclosed
JP-2003074000-A PAPER-PLASTIC COMPLEX STRUCTURE FUJI PHOTO FILM CO LTD 2003-03-12 JP disclosed
US-5256651-A Thickeners for subterranean formation fracturing fluids RHONE-POULENC, INC. (US) 1993-10-26 US disclosed
EP-0496584-A2 Hydrophilic-Hydrophobic derivatives of polygalactomannans containing tertiary amine functionality STEIN, HALL & CO., INC. (US) 1992-07-29 EP disclosed