SCHEMBL6937055

SCHEMBL6937055

CCCCCCCCN(CCCCCCCC)CCCC(CC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
DNM1 Q05193 5/20 0.46
CYP3A4 P08684 4/20 0.45
TSHR P16473 2/20 0.45
CA2 P00918 2/20 0.42
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.35
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM4C Q9H3R0 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
SCHEMBL27427107 0.89 LMNA (0.45) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL20322494 0.87 S1PR2 (0.40) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL11866225 0.86 ALDH1A1 (0.45) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL4376195 0.85 ALDH1A1 (0.48) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL17165007 0.85 ALDH1A1 (0.48) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL15418383 0.85 ALDH1A1 (0.48) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL10890232 0.85 ALDH1A1 (0.48) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL4368563 0.85 ALDH1A1 (0.48) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL10519378 0.85 ALDH1A1 (0.48) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL16232791 0.85 ALDH1A1 (0.48) ALDH1A1TDP1DNM1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924196-B1 Process for the alkylation of alkyl- or benzonitrile in the presence of trialkyl amines or phosphines AVENTIS PHARMA GMBH (DE) 2003-06-18 EP claimed
EP-0960884-B1 Process for the production of 3,7-dialkylxanthins from 3-alkylxanthins AVENTIS PHARMA GMBH (DE) 2002-10-09 EP claimed
EP-0597377-B1 Process for the production of 3,7-Dialkylxanthine from 3-Alkylxanthine AVENTIS PHARMA GMBH (DE) 2000-08-16 EP claimed
EP-4149672-B1 FILTER ELEMENT FOR GASEOUS FLUIDS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-04-03 EP disclosed
EP-4149672-A1 FILTER ELEMENT FOR GASEOUS FLUIDS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2023-03-22 EP disclosed
WO-2021228792-A1 FILTER ELEMENT FOR GASEOUS FLUIDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-11-18 WO disclosed