SCHEMBL8430232

SCHEMBL8430232

C=CCC(=O)CCCCCC(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
FAAH O00519 3/20 0.40
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HAO1 Q9UJM8 1/20 0.35
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL28717818 0.89 TDP1 (0.43) TSHRFAAHALDH1A1TDP1SMN1; SMN2
SCHEMBL9295757 0.87 KMT2A (0.54) TSHRFAAHMAPTKMT2AALDH1A1
SCHEMBL3632919 0.87 KMT2A (0.54) TSHRFAAHMAPTKMT2AALDH1A1
SCHEMBL11796286 0.87 KMT2A (0.54) TSHRFAAHMAPTKMT2AALDH1A1
SCHEMBL11795366 0.87 KMT2A (0.54) TSHRFAAHMAPTKMT2AALDH1A1
SCHEMBL3131865 0.87 KMT2A (0.54) TSHRFAAHMAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL3634285 0.85 KMT2A (0.52) TSHRFAAHMAPTKMT2AALDH1A1
SCHEMBL176299 0.84 TSHR (0.50) TSHRFAAHMAPTKMT2AALDH1A1
SCHEMBL9539734 0.83 TSHR (0.48) TSHRFAAHMAPTKMT2AALDH1A1
SCHEMBL515245 0.83 MAPT (0.59) TSHRFAAHMAPTABCC4ALDH1A1

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-118201905-A Cationic lipid 武田药品工业株式会社 2024-06-14 CN disclosed
US-5910590-A INTERACTS WITH GABA BINDING SITE (THE BENZODIAZEPINE RECEPTOR); TREATMENT OF ANXIETY, SEIZURE AND SLEEP DISORDERS, ENHANCES ALERTNESS AND TREATMENT OF BENZODIAZEPINE OVERDOSES NEUROGEN CORPORATION (US) 1999-06-08 US disclosed