SCHEMBL25501774

SCHEMBL25501774

CCC(C)C(=O)OCCOCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.53
MAPK1 P28482 1/20 0.49
MAPT P10636 3/20 0.48
PKM P14618 1/20 0.47
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 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
RAB9A P51151 1/20 0.43
NFKB1 P19838 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
SCHEMBL25501749 1.00 RARB (0.53) RARBMAPK1MAPTPKMHTT
SCHEMBL26079393 1.00 RARB (0.53) RARBMAPK1MAPTPKMHTT
SCHEMBL25802143 0.92 RARB (0.51) RARBMAPTTP53PRSS1ACR
SCHEMBL25802116 0.92 RARB (0.51) RARBMAPTTP53PRSS1ACR
SCHEMBL25507372 0.91 RARB (0.54) RARBMAPK1MAPTPKMHTT
SCHEMBL25493417 0.91 L3MBTL1 (0.48) RARBMAPTKDM4EPRSS1ACR
SCHEMBL27118098 0.91 MAPT (0.47) RARBMAPTPKMPRSS1ACR
SCHEMBL25501804 0.91 MAPT (0.57) RARBMAPTKDM4EPRSS1ACR
SCHEMBL25501208 0.90 HTT (0.58) RARBMAPK1MAPTHTTTP53
SCHEMBL11941089 0.89 MAPK1 (0.60) RARBMAPK1PKMHTTTP53

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