SCHEMBL24453028

SCHEMBL24453028

O=C(OCCS(=O)(=O)O)C12CC3CC(CC(OCC4CO4)(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ABL1 P00519 1/20 0.30
TSHR P16473 1/20 0.30
RIN1 Q13671 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
SCHEMBL15250506 0.81 NPSR1 (0.34) NPSR1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL20008913 0.81 NPSR1 (0.57) NPSR1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL23746955 0.80 NPSR1 (0.43) NPSR1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL18775888 0.79 NPSR1 (0.47) NPSR1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL24452779 0.77
SCHEMBL10172880 0.76 ALDH1A1 (0.53) NPSR1LMNAALDH1A1L3MBTL1NPC1
SCHEMBL18775993 0.76 NPSR1 (0.44) NPSR1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL17446710 0.76 NPSR1 (0.41) NPSR1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL98471 0.76 ALDH1A1 (0.47) NPSR1LMNAALDH1A1MEN1KMT2A
SCHEMBL15250502 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed
US-20220160281-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-26 US disclosed