SCHEMBL6323712

SCHEMBL6323712

CCCCCCCCCC(C=O)CC(=O)C(C)CCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACE2 Q9BYF1 1/20 0.43
GPR84 Q9NQS5 7/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FDPS P14324 3/20 0.39

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
SCHEMBL7749336 0.82 TSHR (0.38) CA1TSHRSMN1; SMN2FDPS
SCHEMBL27505535 0.80 GPR84 (0.58) TSHRSMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL11850566 0.79 TSHR (0.48) TSHRSMN1; SMN2GPR84ADH1BADH1C
SCHEMBL7338718 0.79 TSHR (0.48) TSHRSMN1; SMN2GPR84ADH1BADH1C
SCHEMBL10437529 0.77 TSHR (0.47) TSHRSMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL23851480 0.77 TSHR (0.65) TSHRSMN1; SMN2GPR84ADH1BADH1C
SCHEMBL6196083 0.77 TSHR (0.65) TSHRSMN1; SMN2GPR84ADH1BADH1C
SCHEMBL9395399 0.77 TSHR (0.65) TSHRSMN1; SMN2GPR84ADH1BADH1C
SCHEMBL17062948 0.77 TSHR (0.65) TSHRSMN1; SMN2GPR84ADH1BADH1C
SCHEMBL21694562 0.77 TSHR (0.65) TSHRSMN1; SMN2GPR84ADH1BADH1C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
US-6126930-A REDUCING TRIGEMINAL STIMULATION FROM AN ATOMIZED ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 2000-10-03 US claimed
EP-0986367-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-03-22 EP claimed
WO-1998035651-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-20 WO claimed