SCHEMBL26430688

SCHEMBL26430688

CCCC/C=C/C(CCCCCCCCCCC)C1CC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
PTGER4 P35408 3/20 0.33
PTGER2 P43116 3/20 0.33
PTGIR P43119 2/20 0.33
PTGER1 P34995 2/20 0.33
PTGER3 P43115 2/20 0.33
MAPK1 P28482 2/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
HPGD P15428 1/20 0.33
TBXA2R P21731 1/20 0.33
OPRK1 P41145 1/20 0.33
PTGFR P43088 1/20 0.33
PDE4D Q08499 1/20 0.33
SLCO2A1 Q92959 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL26430588 0.90 ALDH1A1 (0.40) ALDH1A1L3MBTL1TSHRNPC1PTGER4
SCHEMBL26430645 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1HPGDMAPT
SCHEMBL26430543 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1HPGDMAPT
SCHEMBL19277653 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1MAPTKMT2A
SCHEMBL20126492 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1MAPTKMT2A
SCHEMBL19157284 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1MAPTKMT2A
SCHEMBL21362921 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1PTGER4PTGER2PTGER3
SCHEMBL15190129 0.78 TSHR (0.42) ALDH1A1L3MBTL1TSHRNPC1
SCHEMBL5617415 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL21745699 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1HPGDMAPT

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
WO-2023192286-A2 ALKENYL SUCCINIMIDE COMPOUNDS AND THEIR USE VERTELLUS HOLDINGS LLC (US) 2023-10-05 WO disclosed