SCHEMBL3284736

SCHEMBL3284736

CCCCCCCCNC(O)(O)CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAAA Q02083 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
GBA1 P04062 3/20 0.38
CASP2 P42575 1/20 0.38

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 1.00 EPHX1 (0.42) EPHX1LMNAALDH1A1TSHRHSD17B10
SCHEMBL6733805 1.00 EPHX1 (0.42) EPHX1LMNAALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL9575904 0.98 EPHX1 (0.41) EPHX1LMNAALDH1A1TSHRHSD17B10
Water SCHEMBL11079481 0.98 EPHX1 (0.41) EPHX1LMNAALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL9794765 0.98 EPHX1 (0.41) EPHX1LMNAALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL2059994 0.98 EPHX1 (0.41) EPHX1LMNAALDH1A1TSHRHSD17B10
Bromide SCHEMBL9575933 0.98 EPHX1 (0.41) EPHX1LMNAALDH1A1TSHRHSD17B10
SCHEMBL3286949 0.91 TSHR (0.36) EPHX1LMNAALDH1A1TSHRHSD17B10
Bromide SCHEMBL9575617 0.87 HRH3 (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL9575605 0.87 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