SCHEMBL2822286

SCHEMBL2822286

CC(OC(=O)CCCCC(=O)O)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
TSHR P16473 4/20 0.40
ALOX15 P16050 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL27533156 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL3831099 0.78 TSHR (0.61) ALDH1A1TSHRHDAC3HDAC4HDAC1
Adipic Acid SCHEMBL10781724 0.77 HDAC3 (0.53) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL3834720 0.77 TSHR (0.59) ALDH1A1KMT2AMEN1TSHRHDAC3
Phthalic Acid SCHEMBL30480760 0.76 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRALOX15HDAC3
Phthalic Acid SCHEMBL1906918 0.76 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRALOX15HDAC3
SCHEMBL6907363 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2ATSHRALOX15
SCHEMBL11774105 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL12804115 0.75 TSHR (0.48) ALDH1A1KMT2AMEN1TSHRALOX15
SCHEMBL6903418 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AMEN1RECQL

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-20100245730-A1 CELLULOSE ACYLATE FILM AND METHOD FOR PRODUCING SAME, RETARDATION FILM, POLARIZER AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed