SCHEMBL21665296

SCHEMBL21665296

CCCCC(C)(CN)NC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.35
DNM1 Q05193 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL29107041 0.85 TSHR (0.33) FDPSALDH1A1TSHREPHX1
SCHEMBL23371063 0.80 EPHX1 (0.31) TSHREPHX1
SCHEMBL19645598 0.80 ALDH1A1 (0.31) ALDH1A1TSHREPHX1
SCHEMBL13181417 0.78 TSHR (0.40) FDPSTSHREPHX1
SCHEMBL13181419 0.75 TSHR (0.42) FDPSTSHREPHX1
SCHEMBL22624028 0.75 TSHR (0.42) FDPSTSHREPHX1
SCHEMBL20413846 0.75 TSHR (0.42) FDPSTSHREPHX1
SCHEMBL18430943 0.75 TSHR (0.42) FDPSTSHREPHX1
SCHEMBL24943233 0.75 TSHR (0.42) FDPSTSHREPHX1
SCHEMBL20930917 0.73 EPHX1 (0.35) FDPSALDH1A1TSHREPHX1

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-3603636-A1 S1PR4-TARGETING COMPOSITION FOR PREVENTING OR TREATING NON-ALCOHOLIC STEATOHEPATITIS University Of Ulsan Foundation For Industry Cooperation (KR) 2020-02-05 EP disclosed