SCHEMBL30459981

SCHEMBL30459981

C=C(Cc1nc(Cc2ccc(CCCC)cc2)no1)C(=O)OCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ THRB P10828 2/20 0.34
▸ APLNR P35414 2/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ F2 P00734 1/20 0.34

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
SCHEMBL25214505 0.92 ALDH1A1 (0.39) ALDH1A1MAPTHPGDHSD17B10APLNR
SCHEMBL25213343 0.90 ALDH1A1 (0.40) ALDH1A1MAPTHPGDHSD17B10APLNR
SCHEMBL25436972 0.88 APLNR (0.31) ALDH1A1MAPTHPGDHSD17B10APLNR
SCHEMBL25801788 0.86 ALDH1A1 (0.36) ALDH1A1MAPTHPGDHSD17B10THRB
SCHEMBL25213831 0.86 APLNR (0.33) ALDH1A1MAPTHPGDHSD17B10APLNR
SCHEMBL23588038 0.85 ALDH1A1 (0.43) ALDH1A1MAPTHPGDHSD17B10THRB
SCHEMBL25433250 0.85 TP53 (0.32) ALDH1A1MAPTHPGDHSD17B10APLNR
SCHEMBL25801811 0.83 ALDH1A1 (0.37) ALDH1A1THRBTHRA
SCHEMBL25270070 0.83 APLNR (0.34) ALDH1A1MAPTHPGDHSD17B10APLNR
SCHEMBL25299009 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHPGDHSD17B10THRB

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
EP-4192821-A1 ALPHA,BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2023-06-14 — — EP disclosed
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