SCHEMBL3044281

SCHEMBL3044281

CCCCOC(=O)C1=CC=CN(CCCC)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
TSHR P16473 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL15534561 0.82 KDM4A (0.39) ESR1TSHRMAPK1CYP3A4TP53
SCHEMBL23581909 0.82 ESR1 (0.48) ESR1TSHRMAPK1CYP3A4TP53
SCHEMBL29061000 0.81 HCAR3 (0.34) TSHRTDP1MAPK1TP53
Bromide SCHEMBL29059984 0.80 HCAR3 (0.33) TSHRTDP1MAPK1TP53
SCHEMBL27579366 0.78 MEN1 (0.44) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2582297 0.77 ALDH1A1 (0.41) ESR1TSHRTDP1MAPK1CYP3A4
SCHEMBL9500226 0.75 PLA2G2A (0.36) TSHRTP53CYP1A2CYP2C19ALDH1A1
SCHEMBL29067685 0.75 PLA2G2A (0.36) TSHRTP53CYP1A2CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL2581502 0.75 ALDH1A1 (0.40) ESR1TSHRTDP1MAPK1CYP3A4
SCHEMBL3043749 0.75 TSHR (0.37) ESR1TSHRCYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839591-B2 Anionic dye or brightener bearing an ammonium or phosphonium counterion, dye composition comprising them and process for dyeing keratin fibres using these dyes L'OREAL (FR) 2017-12-12 US claimed
US-20240351866-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN THROUGH ELECTRIFICATION OF WATER GAS SHIFT REACTION TOTALENERGIES ONETECH (FR) 2024-10-24 US disclosed
EP-4399178-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN THROUGH ELECTRIFICATION OF WATER GAS SHIFT REACTION TotalEnergies OneTech (FR) 2024-07-17 EP disclosed
WO-2023036857-A1 PROCESS FOR THE PRODUCTION OF HYDROGEN THROUGH ELECTRIFICATION OF WATER GAS SHIFT REACTION TOTALENERGIES ONETECH (FR) 2023-03-16 WO disclosed
US-7687513-B1 Aminopyridinium ionic liquids UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-03-30 US disclosed