SCHEMBL4644308

SCHEMBL4644308

[CH2]CCCC(=O)OC(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 6/20 0.48
KMT2A Q03164 7/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.44
TBXAS1 P24557 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL4646985 0.91 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAKMT2ATDP1
SCHEMBL27623813 0.89 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNAKMT2ATDP1
SCHEMBL27717854 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAKMT2ATDP1
SCHEMBL28994933 0.85 TBXAS1 (0.55) ALDH1A1L3MBTL1LMNAKMT2ATDP1
SCHEMBL28620438 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAKMT2ATDP1
SCHEMBL4641800 0.84 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNAKMT2ATDP1
SCHEMBL23926881 0.84 LMNA (0.64) ALDH1A1L3MBTL1LMNAKMT2ACYP1A2
SCHEMBL22129603 0.83 TBXAS1 (0.52) ALDH1A1L3MBTL1LMNATBXAS1
SCHEMBL2883382 0.83 LMNA (0.67) ALDH1A1L3MBTL1LMNAKMT2ACYP1A2
SCHEMBL4624298 0.83 LMNA (0.67) ALDH1A1L3MBTL1LMNAKMT2ACYP1A2

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed