SCHEMBL23716180

SCHEMBL23716180

CC(C)(ONNC(C(N)=O)c1cccc(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.44
S1PR2 O95136 2/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
SYK P43405 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
OGG1 O15527 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
POLB P06746 1/20 0.34
ADRA1D P25100 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
SCHEMBL23716421 0.80 S1PR3 (0.68) S1PR3S1PR2S1PR4S1PR1
SCHEMBL23716111 0.76 OGG1 (0.45) SYKOGG1TRPM8
SCHEMBL23716193 0.73 OGG1 (0.44) CNR1CNR2OGG1POLB
SCHEMBL13710935 0.72 ROCK2 (0.48) SYKOGG1TRPM8ADRB2ADRB1
SCHEMBL23716154 0.72 ROCK2 (0.48) SYKOGG1TRPM8ADRB2ADRB1
SCHEMBL17664004 0.72 S1PR3 (0.54) S1PR3S1PR2S1PR4S1PR1SYK
SCHEMBL23715916 0.70 OGG1 (0.44) OGG1TRPM8
SCHEMBL17664005 0.70 S1PR3 (0.49) S1PR3S1PR2S1PR4S1PR1SYK
SCHEMBL13707887 0.70 ALDH1A1 (0.49) S1PR3S1PR2S1PR4SYKOGG1
SCHEMBL22758107 0.68 TRPM8 (0.47) TRPM8ADRA1D

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed