SCHEMBL9302677

SCHEMBL9302677

C=CCOC(OCC=C)C(=O)O.[LiH]

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 1/20 0.31
CPA1 P15085 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC2 Q92769 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
SCHEMBL541955 0.98 GRIK1 (0.33) GRIK1GRIK2CYP3A4TDP1CYP2C19
SCHEMBL5163974 0.95 GRIK1 (0.32) GRIK1GRIK2CYP3A4TDP1CYP2C19
Ammonia Solution, Strong SCHEMBL9302589 0.95 GRIK1 (0.32) GRIK1GRIK2CYP3A4TDP1CYP2C19
SCHEMBL4563384 0.78 FNTA (0.43) GRIK1GRIK2CYP3A4TDP1CYP2C19
SCHEMBL6394261 0.78 GRIK1 (0.33) GRIK1GRIK2CYP3A4TDP1CYP2C19
Ammonia Solution, Strong SCHEMBL546579 0.76 GRIK1 (0.32) GRIK1GRIK2CYP3A4TDP1CYP2C19
SCHEMBL7197484 0.76
SCHEMBL9304234 0.76 CYP3A4 (0.41) CYP3A4TDP1TSHRMAPTCACNA1B
SCHEMBL4627664 0.76 CYP3A4 (0.42) CYP3A4CYP2C19TSHRMEN1KMT2A
Lithium Ion SCHEMBL9302671 0.74 CYP3A4 (0.31) CYP3A4TDP1

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-5360881-A Addition polymers with (meth)acrylic acid, acrylate salts, acrylamide, itaconic acid and sulfonates SOCIETE FRANCAISE HOECHST (FR) 1994-11-01 US disclosed