SCHEMBL8894613

SCHEMBL8894613

[CH2]CCCC(=O)OCCCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
FFAR1 O14842 1/20 0.52
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 1/20 0.51
LPAR1 Q92633 3/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAAA Q02083 1/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 1/20 0.48
S1PR5 Q9H228 1/20 0.48
PLA2G4B P0C869 1/20 0.47

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
SCHEMBL8880355 0.98 TDP1 (0.62) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL8895952 0.95 TDP1 (0.58) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL8880920 0.95 TDP1 (0.58) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL8878852 0.95 TDP1 (0.58) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL8896264 0.95 TDP1 (0.58) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL8894584 0.94 TDP1 (0.64) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL8896110 0.91 TDP1 (0.60) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL7781081 0.91 TDP1 (0.68) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL1788500 0.91 TDP1 (0.68) TDP1FFAR1MAPTRXFP1LMNA
SCHEMBL8894015 0.89 TDP1 (0.66) TDP1FFAR1LMNAALDH1A1SMN1; SMN2

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed