SCHEMBL25819157

SCHEMBL25819157

CC(C)c1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(C(C)C)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HTT P42858 6/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ PKM P14618 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MMP2 P08253 3/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ MMP14 P50281 2/20 0.42
▸ ACACB O00763 2/20 0.42
▸ ACACA Q13085 2/20 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
SCHEMBL10000942 0.94 LMNA (0.58) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL25819149 0.94 LMNA (0.58) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL20171939 0.94 PKM (0.59) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL19676870 0.92 PKM (0.54) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL25841271 0.92 ACACB (0.52) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL19382857 0.92 ACACB (0.52) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL13918868 0.92 PKM (0.54) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL12463908 0.89 LMNA (0.44) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL27048202 0.88 PKM (0.66) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL16638686 0.88 SMN1; SMN2 (0.67) LMNAALDH1A1MAPTGAAKDM4E

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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