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Sugi Predict / Compounds / Isobutyraldehyde

Isobutyraldehyde

Isobutyraldehyde

SCHEMBL2226850

CC(C)C=O.c1ccc2c3c(oc2c1)CNCC3

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.51
▸ KCNH2 Q12809 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ NR2E1 Q9Y466 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL30681216 0.87 HTR6 (0.58) HTR6KCNH2KDM4EHTR5ANISCH
SCHEMBL171817 0.87 HTR6 (0.58) HTR6KCNH2KDM4EHTR5ANISCH
Hydrochloric Acid SCHEMBL7140687 0.85 HTR6 (0.59) HTR6KCNH2KDM4EHTR5ANISCH
Pentanal SCHEMBL2225046 0.81 HTR6 (0.46) HTR6KCNH2KDM4E
Cyclopentanecarbaldehyde SCHEMBL2229086 0.81 HTR6 (0.48) HTR6KCNH2KDM4EHTR5ANISCH
SCHEMBL2227642 0.80 HTR6 (0.47) HTR6KCNH2KDM4E
Benzenethiol SCHEMBL2226315 0.79 HTR6 (0.54) HTR6KCNH2KDM4EHTR5ANISCH
SCHEMBL2226594 0.79 HTR6 (0.46) HTR6KCNH2KDM4E
SCHEMBL30281730 0.79 HTR6 (0.53) HTR6KCNH2KDM4EHTR5ANISCH
SCHEMBL9904432 0.78 HTR6 (0.49) HTR6KCNH2KDM4EHTR5ANISCH

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
WO-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 — — WO disclosed