SCHEMBL25501442

SCHEMBL25501442

C=CC(=O)OCCOc1ccc(NC(C)=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
RORC P51449 2/20 0.44
ALDH1A1 P00352 2/20 0.41
MCHR1 Q99705 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL39813 0.81 THRB (0.51) MEN1KMT2AHTTLMNAMAPT
SCHEMBL11620304 0.80 THRB (0.61) MEN1KMT2AHTTLMNAMAPT
SCHEMBL14173098 0.79 THRB (0.49) LMNACYP3A4HPGDTHRBALDH1A1
SCHEMBL14173095 0.78 THRB (0.48) KMT2AHTTLMNAMAPTHPGD
SCHEMBL3102174 0.78 THRB (0.48) MEN1KMT2ALMNAMAPTCYP3A4
SCHEMBL25008933 0.77 THRB (0.45) HTTLMNAMAPTCYP3A4HPGD
SCHEMBL14173099 0.77 THRB (0.47) MEN1KMT2AHTTLMNACYP3A4
SCHEMBL13763482 0.77 TDP1 (0.70) MEN1KMT2AHTTLMNAMAPT
SCHEMBL10262036 0.76 TSHR (0.49) KMT2ALMNACYP3A4HPGDTHRB
SCHEMBL1828411 0.76 THRB (0.62) HTTLMNAMAPTTHRBTDP1

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