SCHEMBL8083652

SCHEMBL8083652

CCC(C)OP(=O)(O)CNc1cc(OCc2ccccc2)c(C(F)(F)F)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
S1PR1 P21453 4/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MRGPRX4 Q96LA9 4/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
BRD4 O60885 3/20 0.34
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRB P23467 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
ALPG P10696 1/20 0.34
PTK2B Q14289 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL8098272 0.87 UBE2M (0.34) PPARGPPARD
SCHEMBL8090682 0.87 MAPT (0.42) MEN1MAPTKMT2A
SCHEMBL8098738 0.82 CYP1A2 (0.33)
SCHEMBL8083940 0.81 RHOC (0.36) PPARGPPARDS1PR3MEN1MAPT
SCHEMBL8083649 0.81 S1PR1 (0.37) PPARGPPARDS1PR1S1PR4S1PR3
SCHEMBL8098790 0.80 NPSR1 (0.36) MAPT
SCHEMBL8090776 0.77 PTGER4 (0.38) PPARGMEN1MAPTKMT2A
SCHEMBL8181084 0.76 CFTR (0.51) S1PR1S1PR3
SCHEMBL8083716 0.75 AKR1C3 (0.37) PPARGMEN1MAPTKMT2A
SCHEMBL8083684 0.75 SERPINE1 (0.40) MEN1MAPTKMT2A

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-6136805-A Quinoxaline dione derivatives, their production and their use in medicaments SCNERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed