SCHEMBL4427765

SCHEMBL4427765

CCN(CC)CCOC(=O)c1ccccc1Nc1cccc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ PTGS2 P35354 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ AKR1B10 O60218 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ DHFR P00374 1/20 0.54
▸ MPO P05164 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ AKR1B1 P15121 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C2 P52895 1/20 0.54
▸ AKR1C1 Q04828 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ NAPRT Q6XQN6 1/20 0.54

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
SCHEMBL29481378 1.00 CHRM1 (0.54) CHRM1LMNAPTGS2MEN1KMT2A
Hydrochloric Acid SCHEMBL2584597 0.99 CHRM1 (0.53) CHRM1LMNAPTGS2MEN1KMT2A
Acetic Acid SCHEMBL28343505 0.97 LMNA (0.54) CHRM1LMNAPTGS2MEN1KMT2A
Mefenamic Acid SCHEMBL28343523 0.86 LMNA (0.63) CHRM1LMNAPTGS2MEN1KMT2A
SCHEMBL9576565 0.81 SCN1A (0.63) CHRM1LMNAMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL29471312 0.80 SCN1A (0.61) CHRM1LMNAMEN1KMT2ACYP1A2
SCHEMBL3805715 0.80 MT-CO2 (0.59) CHRM1LMNAPTGS2MEN1KMT2A
SCHEMBL29481381 0.79 METTL3 (0.76) CHRM1LMNAPTGS2MEN1KMT2A
SCHEMBL4434232 0.79 METTL3 (0.76) CHRM1LMNAPTGS2MEN1KMT2A
SCHEMBL9797153 0.78 MEN1 (0.57) CHRM1LMNAPTGS2MEN1KMT2A

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-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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