SCHEMBL3069381

SCHEMBL3069381

CCC/C=C/CC/C=C/CC(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.37
ACE2 Q9BYF1 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FAAH O00519 1/20 0.35
PPARA Q07869 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3069383 1.00 TOP1 (0.37) TOP1ACE2FFAR1FFAR4GABRR1
SCHEMBL6302500 0.98 ACE2 (0.38) ACE2FFAR1FFAR4GABRR1CYP1A2
SCHEMBL3270491 0.98 ACE2 (0.38) ACE2FFAR1FFAR4GABRR1CYP1A2
SCHEMBL585188 0.86 F7 (0.50) TOP1ACE2FFAR1FFAR4CYP1A2
SCHEMBL1026928 0.86 F7 (0.50) TOP1ACE2FFAR1FFAR4CYP1A2
SCHEMBL3076324 0.86 F7 (0.50) TOP1ACE2FFAR1FFAR4CYP1A2
SCHEMBL4585236 0.84 GABRR1 (0.46) ACE2GABRR1CYP1A2
SCHEMBL4585237 0.84 GABRR1 (0.46) ACE2GABRR1CYP1A2
SCHEMBL3087503 0.84 PPARG (0.53) TOP1FFAR1FFAR4CYP1A2FAAH
SCHEMBL3087501 0.84 PPARG (0.53) TOP1FFAR1FFAR4CYP1A2FAAH

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
US-PP21289-P3 Hop plant named ‘HBC 394’ Hop Breeding Company, L.L.C. (US) 2010-09-14 US disclosed
US-20090193555-P1 Hop plant named 'HBC 394' HOP BREEDING COMPANY, LLC 2009-07-30 US disclosed