SCHEMBL3286949

SCHEMBL3286949

CCCCNC(O)(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.35
EPHX1 P07099 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 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
SCHEMBL11779761 0.91 EPHX1 (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL3284736 0.91 EPHX1 (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6733805 0.91 EPHX1 (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL2059994 0.89 EPHX1 (0.41) TSHRALDH1A1EPHX1ADH1BADH1C
Water SCHEMBL11079481 0.89 EPHX1 (0.41) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL9794765 0.89 EPHX1 (0.41) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL9575904 0.89 EPHX1 (0.41) TSHRALDH1A1EPHX1ADH1BADH1C
Bromide SCHEMBL9575933 0.89 EPHX1 (0.41) TSHRALDH1A1EPHX1ADH1BADH1C
Bromide SCHEMBL9575617 0.79 HRH3 (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL9575605 0.79 HRH3 (0.46) ALDH1A1

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-7704939-B2 Surfactant SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-27 US disclosed
US-20070167343-A1 neutralized salt including alkylbenzenesulphonates (toluenesulfonic acid guanidine salt, toluenesulfonic acid DBU salt, toluenesulfonic acid DBN salt) for cleaning electonics SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-19 US disclosed
US-20050245422-A1 Alkali cleaner SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-03 US disclosed