SCHEMBL29047733

SCHEMBL29047733

NCCNOC(=O)C(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
SPHK2 Q9NRA0 1/20 0.37
LTA4H P09960 1/20 0.37
GAA P10253 1/20 0.37
KIF11 P52732 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
IDO1 P14902 1/20 0.36
F10 P00742 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADRA2C P18825 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29214557 0.98 MTNR1A (0.39) MTNR1AMTNR1BSPHK2LTA4HGAA
SCHEMBL29047738 0.82 KLK7 (0.46) ALDH1A1KMT2ATDP1
SCHEMBL28650264 0.81 KLK7 (0.45) ALDH1A1KMT2ATDP1
SCHEMBL2806899 0.79 LMNA (0.46) ALDH1A1KMT2AMAPK1TDP1
Ethylenediamine SCHEMBL29047735 0.75 TAAR1 (0.47) MTNR1AMTNR1BLTA4HGAAPPARG
SCHEMBL544737 0.75 TSHR (0.35) LTA4HIDO1TAAR1POLBTSHR
SCHEMBL27277277 0.75 KMT2A (0.45) MTNR1AMTNR1BGAAIDO1TAAR1
SCHEMBL7176428 0.75
SCHEMBL11455170 0.71 KMT2A (0.55) GAAALDH1A1MEN1KMT2APOLB
Ethylenediamine SCHEMBL29214558 0.71 TAAR1 (0.42) MTNR1AMTNR1BPPARGPPARATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535613-B Preparation method of polyurethane curing agent 江苏奥斯佳材料科技股份有限公司 2024-07-02 CN disclosed
CN-116535612-B Polyurethane curing agent 江苏奥斯佳材料科技股份有限公司 2023-11-14 CN disclosed
CN-116535613-A Preparation method of polyurethane curing agent 江苏奥斯佳材料科技股份有限公司 2023-08-04 CN disclosed
CN-116535612-A Polyurethane curing agent 江苏奥斯佳材料科技股份有限公司 2023-08-04 CN disclosed