Butanal

Butanal

SCHEMBL10856576

CCCC=O.CCCCCCCC=C(C=O)CCCCCCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
EP300 Q09472 1/20 0.47
FAAH O00519 4/20 0.47
TRPV1 Q8NER1 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.42
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
KMT2A Q03164 2/20 0.42
GMNN O75496 1/20 0.42

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
Butanal SCHEMBL10856571 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TDP1
Pentanal SCHEMBL10858872 0.93 TSHR (0.57) TSHREP300FAAHTRPV1TDP1
Pentanal SCHEMBL10858880 0.93 TSHR (0.57) TSHREP300FAAHTRPV1TDP1
SCHEMBL10384232 0.93 EP300 (0.53) TSHREP300FAAHTDP1ALDH1A1
SCHEMBL20917244 0.93 EP300 (0.53) TSHREP300FAAHTDP1ALDH1A1
SCHEMBL15316248 0.93 EP300 (0.53) TSHREP300FAAHTDP1ALDH1A1
SCHEMBL9515083 0.93 EP300 (0.53) TSHREP300FAAHTDP1ALDH1A1
SCHEMBL10384756 0.93 EP300 (0.53) TSHREP300FAAHTDP1ALDH1A1
SCHEMBL10384755 0.93 EP300 (0.53) TSHREP300FAAHTDP1ALDH1A1
SCHEMBL11879010 0.93 EP300 (0.53) TSHREP300FAAHTDP1ALDH1A1

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
EP-0175871-A1 Process for improving or modifying the taste and aroma of citrus fruit compositions FIRMENICH SA (CH) 1986-04-02 EP disclosed