SCHEMBL9423013

SCHEMBL9423013

CCOC(OC)OCCCCCCCC/C=C/CO

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 1/20 0.43
LPAR3 Q9UBY5 8/20 0.37
LPAR1 Q92633 5/20 0.37
LPAR2 Q9HBW0 6/20 0.35

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
SCHEMBL9423104 0.80 PTPN1 (0.39) CNR1ALDH1A1CNR2
SCHEMBL9422915 0.79 THRB (0.39) ALDH1A1LPAR3LPAR1LPAR2
SCHEMBL9422995 0.78 TSHR (0.42) LPAR3LPAR1
SCHEMBL16860496 0.78 ALDH1A1 (0.53) CNR1ALDH1A1CNR2LPAR3LPAR1
SCHEMBL11259010 0.75 DNM1 (0.45) LPAR3LPAR1LPAR2
SCHEMBL7632447 0.71 LPAR2 (0.52) CNR1ALDH1A1CNR2LPAR3LPAR1
SCHEMBL3163756 0.71 LPAR2 (0.52) CNR1ALDH1A1CNR2LPAR3LPAR1
SCHEMBL3163745 0.71 LPAR2 (0.52) CNR1ALDH1A1CNR2LPAR3LPAR1
SCHEMBL2051912 0.71 ALDH1A1 (0.62) CNR1ALDH1A1CNR2LPAR3LPAR1
SCHEMBL8798078 0.70 ALDH1A1 (0.53) ALDH1A1

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