SCHEMBL8106928

SCHEMBL8106928

CC1=C(c2ccccc2)C(=O)N(C(C)(C)C=O)CO1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.32
PTGS2 P35354 6/20 0.31
PTGS1 P23219 3/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MT-CO2 P00403 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MC4R P32245 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ELANE P08246 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9236955 0.83 KMT2A (0.37) KMT2ABRD4PTGS2PTGS1ABCB11
SCHEMBL7209897 0.82 KMT2A (0.36) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7209835 0.82 KMT2A (0.36) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8111432 0.82 NPSR1 (0.32) KMT2AMAPTKDM4E
SCHEMBL8106898 0.81 KMT2A (0.35) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL19261230 0.80 KMT2A (0.35) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8112940 0.80 KMT2A (0.35) KMT2APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8105569 0.79 ALDH1A1 (0.33) KMT2AALDH1A1MAPTKDM4EHPGD
SCHEMBL8659691 0.79 PTGS1 (0.42) KMT2APTGS2PTGS1ELANE
SCHEMBL8107417 0.79 ACHE (0.33) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2

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-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US disclosed