SCHEMBL12425928

SCHEMBL12425928

CCCCOC1CC=C(C=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
S1PR1 P21453 1/20 0.31
SGPL1 O95470 1/20 0.31
CRBN Q96SW2 1/20 0.31
LIPC P11150 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL14300062 0.78
SCHEMBL7908107 0.75 CRBN (0.32) CRBN
SCHEMBL13366457 0.74 NPC1 (0.33) S1PR1SGPL1
SCHEMBL31612215 0.72 TRPA1 (0.44) TRPA1
SCHEMBL28117788 0.71 TRPA1 (0.43) TRPA1
SCHEMBL1574372 0.70 CRBN (0.36) S1PR1SGPL1CRBNLIPCLIPG
SCHEMBL14899262 0.68
SCHEMBL20053890 0.68 DRD3 (0.47) S1PR1SGPL1
SCHEMBL10278211 0.67 S1PR1 (0.36) S1PR1SGPL1CRBN
SCHEMBL2606649 0.66

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-2351754-B1 PHENANTHROINDOLIZIDINE COMPOUND AND NF kB INHIBITOR CONTAINING SAME AS ACTIVE INGREDIENT YAKULT HONSHA KK (JP) 2015-06-24 EP disclosed
EP-2351754-A1 PHENANTHROINDOLIZIDINE COMPOUND AND NF B INHIBITOR CONTAINING SAME AS ACTIVE INGREDIENT Kabushiki Kaisha Yakult Honsha (JP) 2011-08-03 EP disclosed