SCHEMBL8894985

SCHEMBL8894985

[CH2]CCC(=O)OCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
APP P05067 2/20 0.59
ALOX5 P09917 2/20 0.55
HCAR2 Q8TDS4 1/20 0.51
FFAR1 O14842 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
AKR1B10 O60218 2/20 0.49
AKR1B1 P15121 2/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8881701 0.90 TDP1 (0.66) TDP1APPFFAR1NPC1RAB9A
SCHEMBL8894015 0.90 TDP1 (0.66) TDP1APPALOX5HCAR2FFAR1
SCHEMBL22832718 0.89 TDP1 (0.81) TDP1APPALOX5HCAR2FFAR1
SCHEMBL8893103 0.88 TDP1 (0.64) TDP1APPALOX5HCAR2FFAR1
SCHEMBL9367557 0.87 TDP1 (0.92) TDP1APPALOX5HCAR2FFAR1
SCHEMBL8896111 0.87 TDP1 (0.62) TDP1APPALOX5HCAR2FFAR1
SCHEMBL8894637 0.87 TDP1 (0.62) TDP1APPALOX5HCAR2FFAR1
SCHEMBL8895088 0.87 TDP1 (0.62) TDP1APPALOX5HCAR2FFAR1
SCHEMBL8896306 0.87 TDP1 (0.62) TDP1APPALOX5HCAR2FFAR1
SCHEMBL8894252 0.87 TDP1 (0.62) TDP1APPALOX5HCAR2FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1162970-A Methine and azamethine dyes made from trifluoromethylpyridones BASF AG (DE) 1997-10-22 CN disclosed
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed