SCHEMBL8401558

SCHEMBL8401558

COc1ccc(CO[C@@H]2[C@H](OCc3ccccc3)[C@H](C)O[C@H](Sc3ccc(Cl)cc3)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TACR1 P25103 2/20 0.36
LTA4H P09960 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ABCB1 P08183 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8398371 1.00 REN (0.37) RENTDP1TACR1LTA4HSIGMAR1
SCHEMBL8399929 0.96 REN (0.39) RENTDP1TACR1SMN1; SMN2HTT
SCHEMBL8469404 0.92 LTA4H (0.40) TDP1TACR1LTA4HSIGMAR1HTT
SCHEMBL8831280 0.92 PDPK1 (0.36) TACR1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8831054 0.92 PDPK1 (0.36) TACR1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9058173 0.92 PDPK1 (0.36) TACR1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8398131 0.91 SLC5A1 (0.38) RENTDP1TACR1SMN1; SMN2HTT
SCHEMBL8397734 0.89 SSTR5 (0.33) TDP1TACR1LMNAL3MBTL1ALDH1A1
SCHEMBL584139 0.84 PDPK1 (0.40) TACR1
SCHEMBL13858947 0.84 PDPK1 (0.40) TACR1

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-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 US disclosed