SCHEMBL28530353

SCHEMBL28530353

CC[CH]CCCCCCC=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
FAAH O00519 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33

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
SCHEMBL27936187 1.00 TSHR (0.62) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL8564404 0.97
SCHEMBL22445024 0.85 TSHR (0.38) TSHRFAAHTRPV1ALDH1A1TDP1
SCHEMBL11203071 0.82 TSHR (0.33) TSHRALDH1A1TDP1MAPK1
SCHEMBL350393 0.81 TSHR (0.84) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL7180877 0.81 TSHR (0.75) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL10448536 0.81 TSHR (0.84) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL1684008 0.81 TSHR (0.84) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL7189299 0.81 TSHR (0.84) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL27740716 0.81 TSHR (0.84) TSHRFAAHTRPV1HIF1AALDH1A1

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
CN-112469439-A With leukotriene A4Hydrolase modulators for the treatment of aging-related diseases 万能溶剂有限公司 2021-03-09 CN disclosed