SCHEMBL10337202

SCHEMBL10337202

C=CCCCCCCCCON1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TSHR P16473 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL9723797 0.81 LPAR3 (0.37) LPAR3LPAR2TSHRALDH1A1LMNA
SCHEMBL528149 0.71 LTA4H (0.41) TSHRALDH1A1MAPT
SCHEMBL14759523 0.71 LTA4H (0.44) LPAR3LPAR2TSHRALDH1A1MAPT
SCHEMBL9275922 0.71 LTA4H (0.44) LPAR3LPAR2TSHRALDH1A1MAPT
SCHEMBL464983 0.70 MAPT (0.37) ALDH1A1MAPT
SCHEMBL8072122 0.69 HRH3 (0.65) TSHRALDH1A1MAPT
SCHEMBL1021527 0.69 HRH3 (0.65) TSHRALDH1A1MAPT
SCHEMBL9225059 0.69 HRH3 (0.65) TSHRALDH1A1MAPT
SCHEMBL8432395 0.69 LTA4H (0.42) TSHRCHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL5222819 0.69 HRH3 (0.32)

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
US-4920101-A FOR ENHANCING PENETRATION OF PHYSIOLOGICALLY ACTIVE AGENTS THROUGH SKIN OR OTHER MEMBRANES NELSON RESEARCH & DEVELOPMENT CO. (US) 1990-04-24 US disclosed