SCHEMBL8840890

SCHEMBL8840890

CCCCCCCCOC(=O)Oc1cnc(-c2ccc(OC(=O)C(C)CCCCCC)c(F)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ FAAH O00519 7/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RARB P10826 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL7791049 0.85 THRA (0.34) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL7091583 0.82 RARB (0.47) FAAHMAPTMEN1ALDH1A1HPGD
SCHEMBL7092568 0.81 RARB (0.51) THRATHRBS1PR1PTPN11MAPT
SCHEMBL7791058 0.81 FAAH (0.37) THRATHRBPTPN11FAAHRARB
SCHEMBL7091380 0.81 RARB (0.44) LMNAMAPTMEN1ALDH1A1HPGD
SCHEMBL7088460 0.78 RARB (0.44) FAAHMAPTMEN1ALDH1A1HPGD
SCHEMBL7092881 0.78 THRA (0.41) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL8353800 0.78 THRA (0.44) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL7793990 0.78 AAK1 (0.35) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL9618022 0.78 PTPN11 (0.44) THRATHRBS1PR1PTPN11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9067350-A — — None — — JP disclosed
JP-H0967350-A ANTIFERRODIELECTRIC LIQUID CRYSTAL COMPOUND AND ANTIFERRODIELECTRIC LIQUID CRYSTAL COMPOSITION TAKASAGO INTERNATL CORP 1997-03-11 — — JP disclosed
Send feedback