SCHEMBL4969624

SCHEMBL4969624

COc1cc(I)c(OCCC(C)CCCC(C)C)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 2/20 0.41
LMNA P02545 2/20 0.41
XDH P47989 1/20 0.37
FDPS P14324 1/20 0.34
ALOX5 P09917 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
C5 P01031 1/20 0.33
GAA P10253 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
SCHEMBL5712240 0.81 HTR2A (0.39) HTR1AHTR2AHTR2CHTR2BCYP1A2
Hydrochloric Acid SCHEMBL3124253 0.79 LMNA (0.38) LMNAFDPSALOX5TLR8TRPV1
Hydrochloric Acid SCHEMBL3124250 0.79 LMNA (0.38) LMNAFDPSALOX5TLR8TRPV1
SCHEMBL31484735 0.79 RARB (0.37) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL14245331 0.78 LMNA (0.43) LMNAXDHFDPSALOX5TLR8
SCHEMBL1956731 0.78 LMNA (0.43) HTR2ACYP1A2CYP2D6LMNAXDH
SCHEMBL1204813 0.77 PDE4A (0.40) HTR2ALMNAFDPSALOX5TRPV1
SCHEMBL1203769 0.77 ALDH1A1 (0.49) CYP3A4TSHRLMNAFDPSALOX5
SCHEMBL4581149 0.77 TRPV1 (0.37) CYP3A4TSHRLMNAFDPSALOX5
SCHEMBL1203776 0.77 HTR2A (0.38) HTR2ALMNAFDPSALOX5TLR8

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
US-20080269461-A1 Polymeric Carbazole Compounds KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2008-10-30 US disclosed
EP-1966270-A1 POLYMERIC CARBAZOLE COMPOUNDS Koninklijke Philips Electronics N.V. (NL) 2008-09-10 EP disclosed
WO-2007072240-A1 POLYMERIC CARBAZOLE COMPOUNDS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-06-28 WO disclosed