SCHEMBL28880908

SCHEMBL28880908

CCCC(O)C(C#N)CCCCCCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.37
GPR84 Q9NQS5 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPA1 O75762 1/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 3/20 0.32
CYP2D6 P10635 2/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 1/20 0.32
UBE2N P61088 1/20 0.32

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
SCHEMBL28398577 0.89 GPR84 (0.44) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL28395145 0.89 GPR84 (0.44) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL4920628 0.81 SPHK1 (0.48) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL29000834 0.75 SPHK1 (0.45) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL28394170 0.74
SCHEMBL28392305 0.74
SCHEMBL11028135 0.72 GPR84 (0.42) SPHK1GPR84TRPA1FFAR1LMNA
SCHEMBL3965971 0.71 TSHR (0.50) SPHK1GPR84TRPV1TRPA1FFAR1
SCHEMBL3502088 0.71 LMNA (0.38) LMNA
SCHEMBL27641944 0.71 SPHK1 (0.45) SPHK1GPR84FFAR1LMNACYP2D6

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
CN-111039977-B Phosphorylylation reagent and application thereof in oligonucleotide synthesis 广州同隽医药科技有限公司 2022-11-08 CN disclosed