SCHEMBL14890551

SCHEMBL14890551

C=CCC(CC=C)NCc1ccccc1.COS(=O)(=O)O

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA1 P00915 1/20 0.36
POLB P06746 1/20 0.36
ACP3 P15309 1/20 0.36
MAPT P10636 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Sulfuric Acid SCHEMBL28531625 0.90 SMN1; SMN2 (0.55) SMN1; SMN2TSHRL3MBTL1ATMTDP1
SCHEMBL14890155 0.88 SMN1; SMN2 (0.46) SMN1; SMN2TSHRL3MBTL1ATMTDP1
SCHEMBL1678150 0.83 SMN1; SMN2 (0.66) SMN1; SMN2TSHRL3MBTL1ATMTDP1
Hydrochloric Acid SCHEMBL327083 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRL3MBTL1ATMTDP1
Iodide SCHEMBL3466446 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRL3MBTL1ATMTDP1
Bromide SCHEMBL3466620 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRL3MBTL1ATMTDP1
SCHEMBL14890478 0.81 SMN1; SMN2 (0.40) SMN1; SMN2TSHRL3MBTL1ATMHTT
SCHEMBL19307323 0.76 MEN1 (0.30) MEN1KMT2AALDH1A1
SCHEMBL9828090 0.75 CA2 (0.53) SMN1; SMN2ATMTDP1HTTMEN1
SCHEMBL17078160 0.74 SMN1; SMN2 (0.51) SMN1; SMN2TSHRL3MBTL1ATMMEN1

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
US-9908959-B2 Polyacrylamide resin, papermaking additive, and paper HARIMA CHEMICALS, INCORPORATED (JP) 2018-03-06 US disclosed
US-20170253683-A1 POLYACRYLAMIDE RESIN, PAPERMAKING ADDITIVE, AND PAPER HARIMA CHEMICALS, INCORPORATED (JP) 2017-09-07 US disclosed
US-20150211130-A1 ANTI-CORROSIVE AGENT FOR WASHING OF METAL WITH ACID, DETERGENT SOLUTION COMPOSITION, AND METHOD FOR WASHING OF METAL NITTO BOSEKI CO LTD (JP) 2015-07-30 US disclosed
US-20130109607-A1 ANTI-CORROSIVE AGENT FOR WASHING OF METAL WITH ACID, DETERGENT SOLUTION COMPOSITION, AND METHOD FOR WASHING OF METAL NITTO BOSEKI CO., LTD. (JP) 2013-05-02 US disclosed