SCHEMBL23568434

SCHEMBL23568434

NCc1ccc(OCCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
MAOB P27338 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2C P28335 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42

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 SCHEMBL27202277 0.98 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL6676686 0.81 MTNR1A (0.47) ALDH1A1SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL6382771 0.81 MTNR1A (0.65) SMN1; SMN2LMNAMTNR1AMTNR1BKDM4E
SCHEMBL13293930 0.79 MTNR1A (0.45) ALDH1A1SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL24976893 0.79 KMT2A (0.54) ALDH1A1SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL18226889 0.78 CA12 (0.68) ALDH1A1SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL15904295 0.78 MTNR1A (0.45) ALDH1A1SMN1; SMN2MTNR1AMTNR1BNPC1
SCHEMBL23568432 0.77 CA12 (0.56) ALDH1A1SMN1; SMN2LMNAL3MBTL1CA12
SCHEMBL23254961 0.77 TPSAB1 (0.61) SMN1; SMN2TSHRHTR2CCA1CA2
Hydrochloric Acid SCHEMBL23148228 0.76 TPSAB1 (0.59) SMN1; SMN2TSHRHTR2CCA1CA2

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 6 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-2022270549-A1 NOVEL POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2022-12-29 WO 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-2022145420-A1 NOVEL MULTILAYER POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER 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