SCHEMBL8075911

SCHEMBL8075911

C=C(C(=O)O)C(O)(CC)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARA Q07869 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4752621 0.82 PPARG (0.42) ALDH1A1MEN1KMT2APPARGL3MBTL1
SCHEMBL17653510 0.82 PPARG (0.42) ALDH1A1MEN1KMT2APPARGL3MBTL1
SCHEMBL9893578 0.81 PPARG (0.38) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL9290995 0.77 MAPT (0.38) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL28230446 0.77 PIN1 (0.49) ALDH1A1MEN1KMT2ATSHRPPARG
SCHEMBL9486615 0.75 LMNA (0.41) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL28522537 0.75 PPARG (0.39) ALDH1A1MEN1KMT2ATSHRPPARG
SCHEMBL8765985 0.73 ALOX15 (0.43) MEN1KMT2APKML3MBTL1SMN1; SMN2
SCHEMBL9862874 0.73 L3MBTL1 (0.43) ALDH1A1TSHRL3MBTL1NPSR1PPARA
SCHEMBL27612101 0.72 PRSS1 (0.35) MEN1KMT2APKMPPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652555-B1 Optical recording medium MITSUI CHEMICALS INC (JP) 2000-07-12 EP disclosed
US-5573831-A ULTRAVIOLET RADIATION CURABLE INK MITSUI TOATSU CHEMICALS, INC. (JP) 1996-11-12 US disclosed
EP-0652555-A2 Optical recording medium MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-05-10 EP disclosed