SCHEMBL5017017

SCHEMBL5017017

COc1ccccc1C(OC(O)CBr)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
NR3C2 P08235 1/20 0.37
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL715991 0.81 AGTR1 (0.38) HTTNR3C2AGTR1LMNACYP1A2
SCHEMBL2368140 0.78 LMNA (0.38) HTTNR3C2AGTR1LMNACYP1A2
SCHEMBL136228 0.76 CA1 (0.46) HTTNR3C2ALDH1A1CA1CA2
SCHEMBL6257499 0.76 CA1 (0.46) HTTNR3C2ALDH1A1CA1CA2
SCHEMBL3022976 0.76 CA1 (0.46) HTTNR3C2ALDH1A1CA1CA2
SCHEMBL7713128 0.76 CA1 (0.46) HTTNR3C2ALDH1A1CA1CA2
SCHEMBL8934873 0.75 NR3C2 (0.36) HTTNR3C2LMNAALDH1A1CA1
SCHEMBL9453914 0.74 CYP1A2 (0.54) HTTNR3C2AGTR1LMNACYP1A2
SCHEMBL2368143 0.74 NR3C2 (0.42) HTTNR3C2ALDH1A1CA1CA2
SCHEMBL7050159 0.73 KIF11 (0.40) HTTNR3C2LMNAALDH1A1CA1

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
EP-2007801-A1 BINDER FOR C-REACTIVE PROTEIN Modpro AB (SE) 2008-12-31 EP disclosed
WO-2007117215-A1 BINDER FOR C-REACTIVE PROTEIN MODPRO AB (SE) 2007-10-18 WO disclosed