SCHEMBL8896306

SCHEMBL8896306

[CH2]CCCCCCCCC(=O)OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
APP P05067 1/20 0.54
ALOX5 P09917 2/20 0.50
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LPAR1 Q92633 3/20 0.47
HCAR2 Q8TDS4 1/20 0.46
FFAR1 O14842 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8894637 1.00 TDP1 (0.62) TDP1APPALOX5MAPTRXFP1
SCHEMBL8894252 1.00 TDP1 (0.62) TDP1APPALOX5MAPTRXFP1
SCHEMBL8896111 1.00 TDP1 (0.62) TDP1APPALOX5MAPTRXFP1
SCHEMBL8895088 1.00 TDP1 (0.62) TDP1APPALOX5MAPTRXFP1
SCHEMBL8893103 0.98 TDP1 (0.64) TDP1APPALOX5MAPTRXFP1
SCHEMBL8894015 0.94 TDP1 (0.66) TDP1APPALOX5HCAR2FFAR1
SCHEMBL8896110 0.92 TDP1 (0.60) TDP1ALOX5MAPTRXFP1LPAR1
SCHEMBL17603621 0.92 TDP1 (0.72) TDP1APPALOX5MAPTRXFP1
SCHEMBL8896264 0.91 TDP1 (0.58) TDP1ALOX5MAPTRXFP1LPAR1
SCHEMBL8880920 0.91 TDP1 (0.58) TDP1ALOX5MAPTRXFP1LPAR1

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