SCHEMBL23568280

SCHEMBL23568280

O=C(NCCOCCOC1CCCCC/C=C\1Br)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.34
MTNR1B P49286 9/20 0.34
NQO2 P16083 7/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
EPHX1 P07099 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL28843156 1.00 MTNR1A (0.34) MTNR1AMTNR1BNQO2SMN1; SMN2NPC1
SCHEMBL28843110 0.93 MTNR1A (0.37) MTNR1AMTNR1BNQO2SMN1; SMN2NPC1
SCHEMBL23568273 0.93 MTNR1A (0.37) MTNR1AMTNR1BNQO2SMN1; SMN2NPC1
SCHEMBL23568996 0.76 SMN1; SMN2 (0.33) MTNR1AMTNR1BNQO2SMN1; SMN2NPC1
SCHEMBL12253349 0.69 PTGDR (0.38) SMN1; SMN2NPC1RAB9AEPHX2ALDH1A1
SCHEMBL2618028 0.69 PTGDR (0.38) SMN1; SMN2NPC1RAB9AEPHX2ALDH1A1
SCHEMBL23571309 0.69 CA3 (0.33) MTNR1AMTNR1BSMN1; SMN2ALDH1A1POLB
SCHEMBL23569021 0.69 MTNR1A (0.31) MTNR1AMTNR1BNQO2SMN1; SMN2ALDH1A1
SCHEMBL38654908 0.68 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL16019238 0.68 THRA (0.32) SMN1; SMN2NPC1RAB9AEPHX2EPHX1

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 4 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