SCHEMBL31257134

SCHEMBL31257134

COc1ccccc1C(=O)C(C)C(C)C(=O)c1ccccc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.55
HPGD P15428 3/20 0.54
ALDH1A1 P00352 1/20 0.54
XBP1 P17861 1/20 0.53
STAT3 P40763 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNA3 P22001 1/20 0.48

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
SCHEMBL4303504 0.88 CTSD (0.55) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL31318924 0.88 CTSD (0.55) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL9041066 0.85 CTSD (0.56) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL2339959 0.85 CTSD (0.51) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL8441866 0.84 CTSD (0.55) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL7055752 0.83 KMT2A (0.54) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL27860086 0.83 HPGD (0.50) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL27607718 0.82 CTSD (0.53) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL3364578 0.82 CTSD (0.53) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL13003559 0.82 CTSD (0.53) CTSDHPGDALDH1A1XBP1STAT3

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-113825787-B Method for manufacturing heat storage sheet 株式会社力森诺科 2024-12-06 CN disclosed