SCHEMBL7305599

SCHEMBL7305599

CCCOc1cc(OCCC)c(O)c(OCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ELANE P08246 1/20 0.41
ERN1 O75460 2/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
CYP2C9 P11712 1/20 0.40
MGAM O43451 2/20 0.39

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
SCHEMBL28893551 0.88 ERN1 (0.52) LTA4HPTGS1PTGS2ERN1KMT2A
SCHEMBL2092371 0.86 NR5A1 (0.56) LTA4HTP53NR5A1PLA2G2A
SCHEMBL29200144 0.83 ELANE (0.41) LTA4HPTGS1PTGS2ELANEERN1
SCHEMBL30446490 0.82 TP53 (0.51) KMT2AALDH1A1TP53HTTPLA2G2A
SCHEMBL4963556 0.82 TP53 (0.51) KMT2AALDH1A1TP53HTTPLA2G2A
SCHEMBL29200149 0.81 PTGS2 (0.42) LTA4HPTGS1PTGS2KMT2AGAA
SCHEMBL4962040 0.80 LTA4H (0.46) LTA4HPTGS1PTGS2ELANEKMT2A
SCHEMBL16575398 0.80 MAPT (0.41) LTA4HPTGS1PTGS2ELANEKMT2A
SCHEMBL25329373 0.78 PTGS1 (0.62) LTA4HPTGS1PTGS2ELANEERN1
SCHEMBL7305592 0.78 KMT2A (0.41) LTA4HELANEKMT2AGAAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504380-A Liquid stabilizer for nitrate compound and preparation method thereof 南京理工大学 2025-02-25 CN disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed