SCHEMBL8893030

SCHEMBL8893030

CCCCN1CCC[C@@]1(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.36
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 3/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.30
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL8893018 1.00 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL949468 0.95 L3MBTL1 (0.36) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL9357045 0.95 S1PR1 (0.39) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL9357038 0.95 S1PR1 (0.39) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL10527688 0.93 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL28772993 0.93 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL454182 0.93 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL9555188 0.93 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL456427 0.92 S1PR1 (0.40) S1PR1S1PR3S1PR5S1PR4L3MBTL1
SCHEMBL8894194 0.89 BDKRB2 (0.35)

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
US-5665371-A SIDE EFFECT REDUCTION HOERRMANN WILHELM (DE) 1997-09-09 US claimed