SCHEMBL28532074

SCHEMBL28532074

CCCCCCC=CCCCCCC(O)CC=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.65
▸ FFAR4 Q5NUL3 1/20 0.65
▸ FAAH O00519 5/20 0.57
▸ TRPV1 Q8NER1 2/20 0.57
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ TERT O14746 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GPR84 Q9NQS5 2/20 0.46
▸ FABP4 P15090 2/20 0.46
▸ GMNN O75496 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL11429837 1.00 FFAR1 (0.65) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL19115282 0.96 FFAR1 (0.60) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL4813908 0.96 FFAR1 (0.60) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL4814435 0.96 FFAR1 (0.60) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL4819792 0.93 FFAR1 (0.56) FFAR1FFAR4FAAHTRPV1NFKB1
SCHEMBL5178072 0.91 GPR84 (0.53) FFAR1FFAR4FAAHNFKB1TSHR
SCHEMBL7609620 0.91 GPR84 (0.53) FFAR1FFAR4FAAHNFKB1TSHR
SCHEMBL21051774 0.91 GPR84 (0.53) FFAR1FFAR4FAAHNFKB1TSHR
SCHEMBL21051773 0.91 GPR84 (0.53) FFAR1FFAR4FAAHNFKB1TSHR
SCHEMBL7605387 0.91 GPR84 (0.53) FFAR1FFAR4FAAHNFKB1TSHR

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
CN-109870535-B Acyl carnitine large-scale qualitative method based on mixed biological sample 中国科学院大连化学物理研究所 2021-03-16 — — CN claimed
CN-109870535-B Acyl carnitine large-scale qualitative method based on mixed biological sample 中国科学院大连化学物理研究所 2021-03-16 — — CN disclosed
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