SCHEMBL28627362

SCHEMBL28627362

C=CCCCCCCCCC(O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.55
FFAR1 O14842 1/20 0.55
MAPT P10636 3/20 0.52
ABCC4 O15439 1/20 0.52
USP2 O75604 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
TET3 O43151 1/20 0.41
LMNA P02545 2/20 0.41
TBXAS1 P24557 2/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL1366101 1.00 GPR84 (0.55) GPR84FFAR1MAPTABCC4USP2
SCHEMBL3794521 1.00 GPR84 (0.55) GPR84FFAR1MAPTABCC4USP2
SCHEMBL29466510 1.00 GPR84 (0.55) GPR84FFAR1MAPTABCC4USP2
SCHEMBL3983097 0.98 GPR84 (0.52) GPR84FFAR1MAPTABCC4USP2
Acetic Acid SCHEMBL31298530 0.94 GPR84 (0.55) GPR84FFAR1MAPTABCC4USP2
SCHEMBL3979255 0.91 GPR84 (0.48) GPR84FFAR1MAPTABCC4USP2
SCHEMBL463287 0.89 GPR84 (0.47) GPR84FFAR1MAPTABCC4USP2
SCHEMBL9495920 0.83 MAPT (0.56) GPR84MAPTABCC4USP2ALDH1A1
SCHEMBL5369364 0.83 MAPT (0.56) GPR84MAPTABCC4USP2ALDH1A1
SCHEMBL11512450 0.83 MAPT (0.56) GPR84MAPTABCC4USP2ALDH1A1

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-113301802-A Synergistic preservative compositions, methods of making and methods of using the same ISP投资有限公司 2021-08-24 CN disclosed