SCHEMBL28490982

SCHEMBL28490982

O=C(CCC(=O)ON(C1CCCCC1)C1CCCCC1)ON(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM6B O15054 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ NAAA Q02083 2/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL16099215 0.85 NAAA (0.39) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL29046352 0.84 NAAA (0.57) LMNAMEN1KMT2ANAAAL3MBTL1
SCHEMBL11319310 0.82 NAAA (0.59) LMNAALDH1A1NAAAEPHX2
SCHEMBL28417651 0.82 NAAA (0.59) LMNAALDH1A1NAAAEPHX2
SCHEMBL10822565 0.82 NAAA (0.59) LMNAALDH1A1NAAAEPHX2
SCHEMBL27975472 0.80 KDM4E (0.33) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL973483 0.79 HSD11B1 (0.37) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7707572 0.76 TSHR (0.39) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL11135152 0.76 HSD11B1 (0.35) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6932731 0.76 HSD11B1 (0.39) LMNAMEN1KMT2AALDH1A1KDM4E

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-112029564-B Neutral water-based antirust agent 南京科润工业介质股份有限公司 2022-06-28 — — CN disclosed
CN-112028764-B Preparation method and application of dodecenylsuccinic acid amine salt 南京科润工业介质股份有限公司 2022-04-15 — — CN disclosed
CN-112028764-A Preparation method and application of dodecenylsuccinic acid amine salt 南京科润工业介质股份有限公司 2020-12-04 — — CN disclosed
CN-112029564-A Neutral water-based antirust agent 南京科润工业介质股份有限公司 2020-12-04 — — CN disclosed
Send feedback