SCHEMBL3899762

SCHEMBL3899762

C=C(C)C(=O)OC(Cl)CC.CN(C)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HPGD P15428 1/20 0.37
RIPK1 Q13546 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL2793026 0.86 TSHR (0.47) ALDH1A1TSHRNPC1RAB9ACA12
SCHEMBL4849893 0.83 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9ACA12
Hydrochloric Acid SCHEMBL2379884 0.78 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RAB9ACA12
SCHEMBL11721506 0.78 TSHR (0.42) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7210921 0.77 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9ACA12
SCHEMBL8941464 0.77 MEN1 (0.41) ALDH1A1TSHRNPC1RAB9ACA12
Methacrylic Acid SCHEMBL9744830 0.76 ALDH1A1 (0.65) ALDH1A1TSHRNPC1RAB9ACA12
SCHEMBL2791461 0.76 ALDH1A1 (0.45) ALDH1A1TSHRNPC1RAB9ACA12
Methacrylic Acid SCHEMBL28201133 0.75 ALDH1A1 (0.63) ALDH1A1TSHRNPC1RAB9ACA12
Methacrylic Acid SCHEMBL18783179 0.75 ALDH1A1 (0.63) ALDH1A1TSHRNPC1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482417-B2 Papermaking chemical, method for manufacturing same, and paper containing same SEIKO PMC CORPORATION (JP) 2009-01-27 US disclosed
US-20050272889-A1 Papermaking chemical, method for manufacturing same, and paper containing same SEIKO PMC CORPORATION (JP) 2005-12-08 US disclosed
EP-1486515-A1 (METH)ACRYLAMIDE POLYMER, PROCESS FOR PRODUCTION THEREOF, PAPER MAKING CHEMICALS, PAPERS CONTAINING THE SAME Seiko PMC Corporation (JP) 2004-12-15 EP disclosed