SCHEMBL19356273

SCHEMBL19356273

COC(CO)[C@H](C)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RCE1 Q9Y256 1/20 0.51
▸ HTT P42858 3/20 0.48
▸ TRPA1 O75762 1/20 0.42
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SLC1A3 P43003 2/20 0.39
▸ SLC1A2 P43004 2/20 0.39
▸ SLC1A1 P43005 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 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
SCHEMBL17896205 0.85 LMNA (0.44) RCE1HTTTRPA1MMP9MMP8
SCHEMBL14461636 0.84 RCE1 (0.49) RCE1HTTTRPA1MMP9MMP8
SCHEMBL17760960 0.83 LTA4H (0.49) RCE1HTTKMT2AALDH1A1MEN1
SCHEMBL19356136 0.81 KMT2A (0.49) RCE1HTTKMT2AMAPTSLC1A1
SCHEMBL19356374 0.81 KMT2A (0.49) RCE1HTTKMT2AMAPTSLC1A1
SCHEMBL5278755 0.80 TRPA1 (0.55) RCE1HTTTRPA1MMP9MMP8
SCHEMBL19628371 0.80 TRPA1 (0.50) RCE1HTTTRPA1KMT2AALDH1A1
SCHEMBL4854382 0.80 TRPA1 (0.55) RCE1HTTTRPA1MMP9MMP8
SCHEMBL9153608 0.80 TRPA1 (0.55) RCE1HTTTRPA1MMP9MMP8
SCHEMBL19391310 0.79 RCE1 (0.44) RCE1HTTTRPA1MMP9MMP8

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
WO-2017156508-A1 C-GLYCOSIDE COMPOUNDS USEFUL FOR TREATING DISEASE FIMBRION THERAPEUTICS, INC. (US) 2017-09-14 — — WO disclosed
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