SCHEMBL28020138

SCHEMBL28020138

CC1(C)CC(c2c(C(=O)O)cccc2C(=O)O)CC(C)(C)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.42
EZH2 Q15910 3/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
KDM1A O60341 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL453481 0.90 ALOX15 (0.48) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL4611752 0.85 KMT2A (0.45) ALOX15KMT2AGAAPOLBMEN1
SCHEMBL2233519 0.84 ALOX15 (0.44) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL4011708 0.83 ALOX15 (0.41) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL2231732 0.82 ALOX15 (0.42) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL29903216 0.82 ALOX15 (0.55) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL679141 0.82 ALOX15 (0.55) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL9245912 0.81 ALOX15 (0.40) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL4012295 0.80 ALOX15 (0.41) ALOX15KMT2AGAAPOLBEZH2
SCHEMBL7191505 0.79 GAA (0.39) ALOX15KMT2AGAAHTTKDM4E

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-104755470-A Stabilizer compositions containing substituted chroman compounds and methods of use thereof CYTEC TECH CORP 2015-07-01 CN claimed