SCHEMBL21752776

SCHEMBL21752776

CCCCCCCCC=CCCCCCCCCCCCCCC(N)CCCCCCCCCC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.55
S1PR1 P21453 5/20 0.55
S1PR3 Q99500 5/20 0.55
S1PR4 O95977 4/20 0.55
FAAH O00519 3/20 0.52
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
CYP3A4 P08684 1/20 0.50
SOAT1 P35610 1/20 0.50
MAPT P10636 3/20 0.47
GMNN O75496 2/20 0.47
LMNA P02545 2/20 0.47
GLA P06280 2/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL445573 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL10795834 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL21752772 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL5280575 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL21199830 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL21199828 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL23390575 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL21199406 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL21199407 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH
SCHEMBL506443 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR4FAAH

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-2020041500-A1 TREATMENT OF FLAVIVIRUS INFECTIONS IN HUMANS USING MUS MUSCULUS RESISTANT 2'-5' OLIGOADENYLATE SYNTHETASE 1B GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-02-27 WO disclosed