SCHEMBL23917764

SCHEMBL23917764

COc1ccc(Oc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A3 P47895 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPBWR1 P48145 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
PARP10 Q53GL7 2/20 0.45
ACACB O00763 3/20 0.45
ACACA Q13085 3/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL22507191 0.94 ACACB (0.53) LTA4HCA12CA1CA2CA7
SCHEMBL178454 0.93 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL6282894 0.90 ALDH1A3 (0.56) ALDH1A1ALDH1A3KMT2APARP10ACACB
SCHEMBL21202067 0.86 ESR2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL14817450 0.83 ACACB (0.59) ALDH1A3KMT2APARP10ACACBACACA
SCHEMBL11580995 0.82 CA1 (0.79) LTA4HCA12CA1CA2CA7
SCHEMBL83811 0.82 CA1 (0.79) LTA4HCA12CA1CA2CA7
SCHEMBL166536 0.82 CA1 (0.79) LTA4HCA12CA1CA2CA7
SCHEMBL125543 0.82 ALDH1A3 (0.64) ALDH1A1LMNAALDH1A3KMT2AMEN1
Anisole SCHEMBL28836834 0.81 CA4 (0.67) LTA4HCA12CA1CA2CA7

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
US-12037453-B2 Aromatic polyethers containing a biosourced furan diol ROQUETTE FRERES (FR) 2024-07-16 US disclosed
US-20210317265-A1 AROMATIC POLYETHERS CONTAINING A BIOSOURCED FURAN DIOL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-10-14 US disclosed