SCHEMBL22015031

SCHEMBL22015031

CCC(C)(CC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)(CC)C3CO3)cc2)cc1)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
HIF1A Q16665 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
AR P10275 1/20 0.40
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
PKM P14618 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
MITF O75030 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22015742 0.91 MEN1 (0.38) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL20244248 0.89 ALDH1A1 (0.53) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL25747789 0.88 KMT2A (0.56) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL11920239 0.88 ALDH1A1 (0.56) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL23837201 0.87 KMT2A (0.55) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL18087501 0.86 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL24742917 0.86 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL20647773 0.84 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL25979833 0.84 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL13783651 0.83 ALDH1A1 (0.60) KMT2AALDH1A1MEN1MAPTTP53

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-20200157361-A1 Fire-protection composition, multi-component system and use of the same HILTI AKTIENGESELLSCHAFT (LI) 2020-05-21 US disclosed