SCHEMBL25819304

SCHEMBL25819304

CCOc1ccc(C(C)(C)c2ccc(OCOc3c(Cc4cc(S(=O)(=O)O)ccc4OOC)cccc3Cc3cccc(Cc4cc(S(=O)(=O)O)cc(CC)c4OCC)c3OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 4/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ RCE1 Q9Y256 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
SCHEMBL25819187 0.73 LMNA (0.35) GAALMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL25819182 0.63 MAPT (0.37) GAAALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL20024436 0.60 TUBB4A (0.39) HSD17B10
SCHEMBL13472507 0.60 TUBB4A (0.39) HSD17B10
SCHEMBL13382488 0.60 LTA4H (0.46) GAALMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL755720 0.60 CA12 (0.66) GAALMNAALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27738672 0.59 CASR (0.47) LMNAALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL8962018 0.58 NQO1 (0.56) GAAALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL11087708 0.58 CA12 (0.63) GAALMNAALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11519194 0.58 CA12 (0.63) GAALMNAALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230220158-A1 IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY NATIONAL SCIENCE FOUNDATION 2023-07-13 — — US disclosed
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