2-Methylpentanal

2-Methylpentanal

SCHEMBL4778956

CC(C=O)Cc1ccc(C(C)C)cc1.CCCC(C)C=O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
ESR1 P03372 2/20 0.40
TYR P14679 1/20 0.40
ESR2 Q92731 1/20 0.40
IDO1 P14902 2/20 0.37
ACACB O00763 1/20 0.36
FAAH O00519 1/20 0.36
COPS5 Q92905 1/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
LMNA P02545 3/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34

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
SCHEMBL29487262 0.89 TSHR (0.61) TSHRTP53ESR1TYRESR2
SCHEMBL1148 0.89 TSHR (0.61) TSHRTP53ESR1TYRESR2
P-Cymene SCHEMBL23296191 0.83 TP53 (0.54) TSHRTP53ESR1TYRIDO1
SCHEMBL765451 0.81 TYR (0.41) TSHRTP53ESR1TYRESR2
SCHEMBL8343428 0.81 TSHR (0.49) TSHRTP53ESR1TYRIDO1
SCHEMBL2400864 0.80 TSHR (0.51) TSHRTP53ESR1TYRIDO1
SCHEMBL23849575 0.79 TYR (0.45) TSHRTP53TYRIDO1LMNA
SCHEMBL16268509 0.78 TP53 (0.49) TSHRTP53TYRIDO1ACACB
SCHEMBL6327356 0.77 TSHR (0.56) TSHRTP53ESR1ESR2PTGS1
SCHEMBL3642689 0.77 TP53 (0.59) TSHRTP53ACACBL3MBTL1ALDH1A1

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
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed