Heptanal

Heptanal

SCHEMBL29137696

CCCCCCC=O.NN

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.89
FAAH O00519 3/20 0.76
TRPV1 Q8NER1 2/20 0.76
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 1/20 0.50
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 1/20 0.50
HIF1A Q16665 1/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOAT1 P35610 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 1/20 0.45
THRB P10828 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
Hexanal SCHEMBL28678523 0.97
Tridecanal SCHEMBL27839282 0.94 TSHR (0.89) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL120789 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Heptanal SCHEMBL10533943 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Tridecanal SCHEMBL38928 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL1872948 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL7728978 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
Decanal SCHEMBL2540 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL4879845 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1
SCHEMBL9234870 0.94 TSHR (1.00) TSHRFAAHTRPV1ALDH1A1EPHX1

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-117384227-A Preparation method of lactobionic acid acylhydrazone emulsifier 常熟市第二人民医院 2024-01-12 CN disclosed