SCHEMBL25501804

SCHEMBL25501804

CCC(C)C(=O)OCCOCCOCCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ACR P10323 3/20 0.44
PRSS1 P07477 2/20 0.44
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL25501844 0.97 MAPT (0.53) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL25501828 0.97 MAPT (0.53) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL25766995 0.93 MAPT (0.57) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL27118098 0.93 MAPT (0.47) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL25802143 0.92 RARB (0.51) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL25802116 0.92 RARB (0.51) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL25493417 0.91 L3MBTL1 (0.48) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL25501749 0.91 RARB (0.53) MAPTRAB9ALMNAKDM4EACR
SCHEMBL25501774 0.91 RARB (0.53) MAPTRAB9ALMNAKDM4EACR
SCHEMBL26079393 0.91 RARB (0.53) MAPTRAB9ALMNAKDM4EACR

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-20230159827-A1 LIQUID CRYSTAL COMPOSITION, FLUORINE-CONTAINING POLYMER, OPTICALLY ANISOTROPIC LAYER, LAMINATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-05-25 US disclosed