SCHEMBL31087985

SCHEMBL31087985

CCCCCC(CC)OC(=O)c1ccccc1N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ PRKCA P17252 2/20 0.44
▸ PRKCD Q05655 2/20 0.44
▸ TSHR P16473 5/20 0.44
▸ TP53 P04637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 4/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ADRA1A P35348 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL649467 1.00 ALDH1A1 (0.49) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL913893 0.87 ALDH1A1 (0.61) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL7909412 0.86 ALDH1A1 (0.63) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL8021123 0.86 ALDH1A1 (0.63) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL1007039 0.86 ALDH1A1 (0.63) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL9350600 0.86 ALDH1A1 (0.63) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL5061779 0.84 ALDH1A1 (0.70) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL13676725 0.83 ALDH1A1 (0.59) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL31039999 0.83 ALDH1A1 (0.59) ALDH1A1PRSS1PRSS2PRSS3PRKCA
SCHEMBL1523178 0.82 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134379-B1 LIQUID ARYLBENZOYL BENZOIC ACID ESTER DERIVATIVES FOR ENERGY CURABLE COMPOSITIONS SUN CHEMICAL BV (NL) 2024-08-28 — — EP disclosed
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