SCHEMBL8895952

SCHEMBL8895952

[CH2]CCCCCC(=O)OCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
FFAR1 O14842 1/20 0.51
LPAR1 Q92633 3/20 0.51
LMNA P02545 1/20 0.50
ALOX5 P09917 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8896264 1.00 TDP1 (0.58) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8880920 1.00 TDP1 (0.58) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8878852 1.00 TDP1 (0.58) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8896110 0.95 TDP1 (0.60) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8894613 0.95 TDP1 (0.60) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8880355 0.94 TDP1 (0.62) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL1788500 0.92 TDP1 (0.68) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL7781081 0.92 TDP1 (0.68) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8896111 0.91 TDP1 (0.62) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8895088 0.91 TDP1 (0.62) TDP1MAPTRXFP1FFAR1LPAR1

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