SCHEMBL30304261

SCHEMBL30304261

C=C(CC(=O)OC1(c2ccc(C(F)(F)F)cn2)CCC1)C(=O)NC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ PDE2A O00408 3/20 0.33
▸ PDE10A Q9Y233 3/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL24802230 1.00 POLB (0.37) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL24801649 0.89 POLB (0.36) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL30304260 0.89 POLB (0.36) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL29601380 0.88 POLB (0.37) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL24397817 0.88 POLB (0.37) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL24803185 0.87 KMT2A (0.39) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL24802228 0.87 POLB (0.40) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL24398058 0.84 POLB (0.38) POLBGAAHPGDSMN1; SMN2MAPT
SCHEMBL24801165 0.84 SLC6A3 (0.40) MAPTPDE2A
SCHEMBL29600795 0.84 POLB (0.38) POLBGAAHPGDSMN1; SMN2MAPT

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
EP-4359390-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS Sitryx Therapeutics Limited (GB) 2024-05-01 — — EP disclosed
WO-2022269251-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2022-12-29 — — WO disclosed
Send feedback