SCHEMBL9423019

SCHEMBL9423019

COC(C)OCOCCCCCCCCC=CCO

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.39
LPAR1 Q92633 4/20 0.39
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LPAR2 Q9HBW0 3/20 0.31

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
SCHEMBL9423107 0.81 TBXAS1 (0.36) LPAR3LPAR1
SCHEMBL9422919 0.80 MEN1 (0.35) LPAR3LPAR1ALDH1A1LPAR2
SCHEMBL9422997 0.79 TSHR (0.36) LPAR3LPAR1
SCHEMBL9423015 0.77 LPAR3 (0.38) LPAR3LPAR1LPAR2
SCHEMBL11259005 0.74 PRKD3 (0.42) LPAR3LPAR1ALDH1A1LPAR2
SCHEMBL8812439 0.70 LMNA (0.35) ALDH1A1
SCHEMBL8813678 0.70 LMNA (0.35) ALDH1A1
SCHEMBL9423013 0.70 CNR1 (0.43) LPAR3LPAR1ALDH1A1CNR1CNR2
SCHEMBL9422992 0.69 SPHK2 (0.34)
SCHEMBL7681089 0.67 TSHR (0.35) LPAR3ALDH1A1CNR1CNR2

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-5336436-A Quick response HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-09 US disclosed