SCHEMBL4434238

SCHEMBL4434238

CCN(CC)C(C)OC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 2/20 0.69
▸ PTGS2 P35354 14/20 0.66
▸ MEN1 O00255 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ AKR1B10 O60218 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ TTR P02766 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ FABP2 P12104 1/20 0.59
▸ RXRA P19793 1/20 0.59
▸ TBXA2R P21731 1/20 0.59
▸ NR4A1 P22736 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ AKR1C3 P42330 1/20 0.59
▸ NR4A2 P43354 1/20 0.59
▸ AKR1C2 P52895 1/20 0.59
▸ AKR1C1 Q04828 1/20 0.59

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
Hydrochloric Acid SCHEMBL2582019 1.00 METTL3 (0.69) METTL3PTGS2MEN1MAPK1KMT2A
Acetic Acid SCHEMBL28343720 0.97 METTL3 (0.65) METTL3PTGS2MEN1MAPK1KMT2A
Meclofenamic Acid SCHEMBL28346425 0.88 PTGS2 (0.67) METTL3PTGS2MEN1MAPK1KMT2A
SCHEMBL23386249 0.82 METTL3 (1.00) METTL3PTGS2MEN1MAPK1KMT2A
SCHEMBL7350139 0.80 PTGS2 (1.00) METTL3PTGS2MEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL2582024 0.80 METTL3 (0.74) METTL3PTGS2MEN1MAPK1KMT2A
SCHEMBL4427772 0.79 LMNA (0.54) METTL3PTGS2MEN1KMT2AAKR1B10
Hydrochloric Acid SCHEMBL2584594 0.79 LMNA (0.54) METTL3PTGS2MEN1KMT2AAKR1B10
SCHEMBL29481381 0.79 METTL3 (0.76) METTL3PTGS2MEN1MAPK1KMT2A
SCHEMBL4434232 0.79 METTL3 (0.76) METTL3PTGS2MEN1MAPK1KMT2A

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-111808011-A High penetration composition and application thereof 于崇曦 2020-10-23 — — CN disclosed
CN-104706630-B Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates 于崇曦 2020-01-10 — — CN disclosed
EP-2084132-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF N-ARYLANTHRANILIC ACIDS WITH VERY FAST SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2009-08-05 — — EP disclosed
WO-2008029199-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF N-ARYLANTHRANILIC ACIDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-03-13 — — WO disclosed
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