SCHEMBL2000765

SCHEMBL2000765

CC(C)(C)[C@](C)(OCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.41
PPARG P37231 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
HIF1A Q16665 1/20 0.40
SLC16A3 O15427 1/20 0.40

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
SCHEMBL14784385 0.89 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL31518081 0.89 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL27987206 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL883026 0.81 SLC16A3 (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL11475913 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL11654721 0.80 ABCC4 (0.42) TSHR
SCHEMBL31518207 0.80 KMT2A (0.52) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL14784216 0.80 KMT2A (0.52) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL10932040 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27657693 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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-7960420-B2 Diazonamide analogs with improved solubility JOYANT PHARMACEUTICALS, INC (US) 2011-06-14 US disclosed