SCHEMBL9680593

SCHEMBL9680593

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(CC)OP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.60
PLA2G4A P47712 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
KCNK3 O14649 1/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
CNR2 P34972 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SLC6A5 Q9Y345 1/20 0.53
ENPP2 Q13822 1/20 0.53
LPAR1 Q92633 1/20 0.53
LPAR2 Q9HBW0 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL15709298 0.88 MEN1 (0.53) LPAR3PLA2G4AMEN1KMT2A
SCHEMBL28058368 0.88 MEN1 (0.53) LPAR3PLA2G4AMEN1KMT2A
SCHEMBL11550447 0.82 LPAR3 (0.56) LPAR3ALDH1A1THRBCNR2MEN1
SCHEMBL7216068 0.78 SLC6A5 (0.62) LPAR3SMN1; SMN2KCNK3ALDH1A1THRB
SCHEMBL7216064 0.78 SLC6A5 (0.62) LPAR3SMN1; SMN2KCNK3ALDH1A1THRB
SCHEMBL28482624 0.78 LPAR3 (0.69) LPAR3PLA2G4ASMN1; SMN2SLC6A5ENPP2
SCHEMBL7216170 0.78 SLC6A5 (0.62) LPAR3SMN1; SMN2KCNK3ALDH1A1THRB
SCHEMBL7216171 0.78 SLC6A5 (0.62) LPAR3SMN1; SMN2KCNK3ALDH1A1THRB
SCHEMBL22758117 0.77 MEN1 (0.72) SMN1; SMN2KCNK3ALDH1A1THRBCNR2
SCHEMBL25847386 0.77 MEN1 (0.72) SMN1; SMN2KCNK3ALDH1A1THRBCNR2

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
EP-0511652-A1 Hair shampoo composition to impart improved hair conditioning properties HELENE CURTIS, INC. (US) 1992-11-04 EP disclosed