SCHEMBL11079898

SCHEMBL11079898

CCCCCCCCCCCCCCCCNc1c(C)c(C)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.45
ESR1 P03372 1/20 0.44
ACHE P22303 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
S1PR2 O95136 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ELANE P08246 2/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.40

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
Water SCHEMBL11796764 0.99 SLC2A1 (0.44) SLC2A1ESR1ACHESMN1; SMN2LMNA
SCHEMBL27511792 0.86 SLC2A1 (0.53) SLC2A1ESR1SMN1; SMN2LMNAS1PR2
SCHEMBL28744827 0.86 SLC2A1 (0.53) SLC2A1ESR1SMN1; SMN2LMNAS1PR2
SCHEMBL28038825 0.82 SLC2A1 (0.47) SLC2A1ESR1ACHESMN1; SMN2LMNA
SCHEMBL28039189 0.82 SLC2A1 (0.47) SLC2A1ESR1ACHESMN1; SMN2LMNA
SCHEMBL28039128 0.82 SLC2A1 (0.47) SLC2A1ESR1ACHESMN1; SMN2LMNA
SCHEMBL23494758 0.80 CNR1 (0.41) SLC2A1ESR1ACHESMN1; SMN2LMNA
SCHEMBL27511461 0.79 SLC2A1 (0.48) SLC2A1NPSR1ELANE
SCHEMBL10362358 0.77 POLB (0.49) SLC2A1ACHELMNATSHRHSD17B10
Hydrochloric Acid SCHEMBL25416193 0.76 ESR1 (0.46) SLC2A1ESR1SMN1; SMN2LMNAS1PR2

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
US-4446103-A QUATERNARY AMMONIUM POLYMER RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1984-05-01 US disclosed
US-4427796-A QUATERNARY AMMONIUM SALT OF AMINATED CROSSLINKED POLYSTYRENE OR POLYMETHYL METHACRYLATE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1984-01-24 US disclosed
US-4349646-A Water insoluble disinfectant composition RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1982-09-14 US disclosed