SCHEMBL4870098

SCHEMBL4870098

CCCCN(CCCC)c1ccc(CCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
ERBB2 P04626 2/20 0.49
NR1H2 P55055 6/20 0.42
NR1H3 Q13133 6/20 0.42
CNR2 P34972 3/20 0.41
MAPT P10636 2/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
SLCO1B3 Q9NPD5 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
Hydrochloric Acid SCHEMBL3373755 0.98 EGFR (0.47) EGFRERBB2NR1H2NR1H3CNR2
SCHEMBL7153351 0.85 EGFR (0.50) EGFRERBB2NR1H2NR1H3CNR2
SCHEMBL11803623 0.83 NR1H2 (0.44) EGFRERBB2NR1H2NR1H3CNR2
SCHEMBL2491668 0.83 ALDH1A1 (0.48) EGFRERBB2NR1H2NR1H3CNR2
SCHEMBL7932826 0.82 CA2 (0.47) EGFRERBB2MAPTGMNNALDH1A1
SCHEMBL8666908 0.81 MAPT (0.52) MAPTKCNH2
SCHEMBL768272 0.81 EGFR (0.47) EGFRERBB2NR1H2NR1H3CNR2
SCHEMBL17663681 0.81 EGFR (0.47) EGFRERBB2NR1H2NR1H3CNR2
SCHEMBL2014159 0.81 EGFR (0.47) EGFRERBB2NR1H2NR1H3CNR2
SCHEMBL26242336 0.80 EGFR (0.57) EGFRERBB2MAPTGMNNALDH1A1

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-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed