SCHEMBL9150671

SCHEMBL9150671

CCCCCCCCCCCCN1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 3/20 0.51
S1PR5 Q9H228 3/20 0.51
S1PR4 O95977 1/20 0.51
NR1I2 O75469 1/20 0.49
BCHE P06276 7/20 0.47
OPRD1 P41143 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GBA1 P04062 1/20 0.42

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
SCHEMBL28236179 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL28333759 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL8674295 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL28637428 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL7263459 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL8674297 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL5513172 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL9150667 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL20442187 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2
SCHEMBL28333760 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4NR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669710-A Compositions of peptide inhibitors of interleukin-23 receptor 詹森药业有限公司 2023-08-29 CN disclosed
US-5472946-A Topical administration of lincomycin, clindamycin, erthromycin and iododeoxyuridine on skin or mucuous membranes DISCOVERY THERAPEUTICS, INC. 1995-12-05 US disclosed
EP-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP disclosed