SCHEMBL27846207

SCHEMBL27846207

CC(C)(C)OC(=O)C(CCC(N)(OCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
PPARA Q07869 3/20 0.41
CTSS P25774 5/20 0.39
SYK P43405 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CTSK P43235 2/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 2/20 0.38
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL18953153 0.76 ALDH1A1 (0.47) LTA4HPPARASYKMEN1KMT2A
SCHEMBL4536087 0.76 ALDH1A1 (0.47) LTA4HPPARASYKMEN1KMT2A
SCHEMBL4536083 0.76 ALDH1A1 (0.47) LTA4HPPARASYKMEN1KMT2A
SCHEMBL627618 0.74 SMN1; SMN2 (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL28775486 0.73 SYK (0.44) LTA4HPPARACTSSSYKSLC1A3
SCHEMBL27725065 0.73 L3MBTL1 (0.55) LTA4HPPARACTSSSYKPPARG
SCHEMBL27725067 0.73 L3MBTL1 (0.55) LTA4HPPARACTSSSYKPPARG
SCHEMBL3732892 0.73 PPARA (0.57) LTA4HPPARACTSSSYKSLC1A1
SCHEMBL27540417 0.73 LTA4H (0.46) LTA4HPPARASYKAAK1KMT2A
SCHEMBL4909735 0.72 ITGA4 (0.51) CTSSCTSKCYP1A2CTSLCTSB

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-101270076-B Method for preparing natural product (3S,9S)-Ciliatamides C UNIV FUDAN 2011-04-27 CN disclosed