SCHEMBL12833035

SCHEMBL12833035

NCCOCCNC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CA3 P07451 2/20 0.46
▸ CA5A P35218 2/20 0.46
▸ CA5B Q9Y2D0 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KIF11 P52732 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
Hydrochloric Acid SCHEMBL23148226 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL12116757 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL25031841 0.91 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL23569029 0.90 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL38654908 0.90 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL27202278 0.89 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL15085198 0.89 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL13915151 0.84 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL25766759 0.83 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL17884625 0.83 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035986-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-02-02 — — US disclosed
WO-2022145419-A1 MULTILAYER STRUCTURE USING CHEMICALLY CROSSLINKED ALGINIC ACID 持田製薬株式会社 2022-07-07 — — WO disclosed
WO-2021125279-A1 CHEMICALLY CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2021-06-24 — — WO disclosed
WO-2021125255-A1 NOVEL CROSSLINKED ALGINIC ACID 持田製薬株式会社 2021-06-24 — — WO disclosed
EP-3808783-A1 NOVEL CROSSLINKED ALGINIC ACID Mochida Pharmaceutical Co., Ltd. (JP) 2021-04-21 — — EP disclosed
EP-2488032-B1 PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF EINSTEIN COLL MED (US) 2016-11-02 — — EP disclosed
US-8952150-B2 Prostaglandin transporter inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-02-10 — — US disclosed
US-8952150-B2 Prostaglandin transporter inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-02-10 — — US disclosed
WO-2011037610-A1 PROSTAGLANDIN TRANSPORTER INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-31 — — WO disclosed
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