SCHEMBL10419352

SCHEMBL10419352

CN(C)/C=C/C(=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
HTT P42858 1/20 0.35
MAPT P10636 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RECQL P46063 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C9 P11712 1/20 0.31
DNMT1 P26358 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL10419353 1.00 TDP1 (0.42) TDP1HTTMAPTMEN1KMT2A
SCHEMBL24342349 0.78 TDP1 (0.45) TDP1HTTMAPTMEN1KMT2A
SCHEMBL4378106 0.76 MAPT (0.48) TDP1HTTMAPTMEN1KMT2A
SCHEMBL4378103 0.76 MAPT (0.48) TDP1HTTMAPTMEN1KMT2A
SCHEMBL16277300 0.74 HCAR2 (0.35) DGAT1
SCHEMBL16277299 0.74 HCAR2 (0.35) DGAT1
SCHEMBL7871608 0.74 TSHR (0.41) TDP1RECQLGAAALDH1A1DGAT1
SCHEMBL1061841 0.71 CYP2C9 (0.46) TDP1HTTMAPTMEN1KMT2A
SCHEMBL1061842 0.71 CYP2C9 (0.46) TDP1HTTMAPTMEN1KMT2A
SCHEMBL23235417 0.71 CYP2C9 (0.46) TDP1HTTMAPTMEN1KMT2A

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-4971979-A Antiinflammatory agents RHONE-POULENC SANTE (FR) 1990-11-20 US disclosed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 US disclosed