SCHEMBL28401368

SCHEMBL28401368

CN1C(C)(C)CC(C(CCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(C(=O)O)C(=O)O)CC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 7/20 0.40
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
ACHE P22303 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 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
SCHEMBL28556085 0.85 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1263508 0.83 HMGCR (0.35) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL27224319 0.82 ALDH1A1 (0.37) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL21822067 0.81 GAA (0.37) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL28578189 0.77 KMT2A (0.36) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL28872498 0.77 GAA (0.37) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL9813695 0.76 KMT2A (0.50) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1263506 0.75 ALDH1A1 (0.36) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL1768977 0.75 ALDH1A1 (0.36) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL313286 0.75 ALDH1A1 (0.36) KMT2AMEN1GAAALDH1A1KDM4E

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-107849198-B Photocurable resin composition, fuel cell, and sealing method 三键有限公司 2020-04-28 CN disclosed