SCHEMBL2831035

SCHEMBL2831035

C=CC(=O)OCl.CC(O)C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
DNM1 Q05193 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HCAR2 Q8TDS4 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
ALPG P10696 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 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
Acrylic Acid SCHEMBL2348756 0.84 ALPL (0.42) TSHRDNM1MEN1KMT2ATP53
SCHEMBL8587207 0.84 DNM1 (0.39) DNM1MEN1KMT2ATP53MAPK1
Maleic Acid SCHEMBL2350663 0.82 TAAR1 (0.47) TSHRDNM1MEN1KMT2ATP53
Fumaric Acid SCHEMBL2352005 0.82 TAAR1 (0.47) TSHRDNM1MEN1KMT2ATP53
SCHEMBL2349990 0.80 DNM1 (0.50) TSHRDNM1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL3904661 0.79 TSHR (0.38) TSHRDNM1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL6442683 0.79 ALDH1A1 (0.52) TSHRDNM1MEN1KMT2ATP53
SCHEMBL4070523 0.79 TSHR (0.40) TSHRDNM1MEN1KMT2ATP53
Acetic Acid SCHEMBL23069469 0.78 ALPL (0.46) TSHRDNM1MEN1KMT2ATP53
Formic Acid SCHEMBL23069466 0.78 DNM1 (0.42) TSHRDNM1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745529-B2 Flocculant composition and method for manufacturing the same HYMO CORPORATION (JP) 2010-06-29 US disclosed
US-20090137720-A1 FLOCCULANT COMPOSITION AND METHOD FOR MANUFACTURING THE SAME HYMO CORPORATION (JP) 2009-05-28 US disclosed