SCHEMBL31277288

SCHEMBL31277288

CC(C)(C)CO.CC(C)(C)CO.O=C(O)c1c(-c2ccccc2)sc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
GRM6 O15303 7/20 0.41
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRIN2C Q14957 1/20 0.38
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGS2 P35354 1/20 0.38
FOLH1 Q04609 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL31276918 0.85 KMT2A (0.50) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL11658595 0.77 GRM6 (0.46) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL14699088 0.73 ALDH1A1 (0.64) KMT2AMAPTMEN1ALDH1A1GAA
Cyclopropane SCHEMBL11660541 0.72 GRM6 (0.55) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL13398540 0.71 GRM6 (0.49) KMT2AMAPTMEN1ALDH1A1GAA
Benzoic Acid SCHEMBL11126820 0.71 TSHR (0.64) KMT2AMAPTMEN1ALDH1A1HPGD
Benzoic Acid SCHEMBL27397300 0.71 TSHR (0.64) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL2804294 0.70 GRM6 (0.47) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL6411022 0.68 L3MBTL1 (0.54) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL3316456 0.67 PTGS2 (0.66) KMT2AMAPTMEN1ALDH1A1GAA

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
CN-119176892-A Ziegler-Navigator catalyst 中国科学院大连化学物理研究所 2024-12-24 CN claimed