SCHEMBL7199396

SCHEMBL7199396

CC(C)(c1ccc(OCC(O)O)cc1)c1c(Br)c(Br)c(O)c(Br)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
HIF1A Q16665 2/20 0.46
AR P10275 2/20 0.45
KMT2A Q03164 4/20 0.39
MAPT P10636 5/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 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
SCHEMBL11189152 0.84 NQO1 (0.44) HTTHIF1AKMT2AMAPTHSD17B10
SCHEMBL7062464 0.81 HIF1A (0.63) HTTHIF1AARKMT2AMAPT
SCHEMBL31462812 0.80 ESR1 (0.42) HTTHIF1AARKMT2ALMNA
SCHEMBL3618538 0.80 HPGD (0.39) HTTHIF1AARKMT2AMAPT
SCHEMBL818909 0.79 MAPT (0.39) KMT2AMAPTGAALMNAKDM4E
SCHEMBL10595211 0.79 MAPK1 (0.41) ARKMT2AMAPTLMNAHSD17B10
SCHEMBL16553424 0.79 HIF1A (0.56) HTTHIF1AARKMT2AMAPT
SCHEMBL7636232 0.76 CYP3A4 (0.34) HIF1AARKMT2AMAPTHSD17B10
SCHEMBL2137216 0.76 ALDH1A1 (0.68) HIF1AKMT2AMAPTGAALMNA
SCHEMBL8057791 0.75 ESR1 (0.50) HIF1AARKMT2ALMNAHSD17B10

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
US-6623823-B1 Radiopaque polymer coating ETHICON, INC. 2003-09-23 US disclosed
EP-1016424-A1 Radiopaque polymer coating ETHICON, INC. (US) 2000-07-05 EP disclosed