SCHEMBL8640677

SCHEMBL8640677

Oc1cc(O)c(Br)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
HSD17B10 Q99714 6/20 0.52
HPGD P15428 4/20 0.52
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HSP90AA1 P07900 3/20 0.36
ADRA1A P35348 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
AHR P35869 1/20 0.33
TTR P02766 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
SCHEMBL11595609 0.86 HSD17B10 (0.55) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL29663733 0.86 HSD17B10 (0.55) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL29720512 0.83 TSHR (0.60) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL305189 0.83 TSHR (0.60) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL2215984 0.81 TSHR (0.57) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL8820666 0.81 TSHR (0.57) TSHRHSD17B10HPGDCYP3A4ALDH1A1
Triclofenol SCHEMBL11818770 0.80 HSD17B10 (0.64) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL69259 0.78 HSD17B10 (0.80) TSHRHSD17B10HPGDCYP3A4ALDH1A1
SCHEMBL69493 0.78 ALOX15 (0.50) TSHRHPGDCYP3A4TDP1ALOX15
SCHEMBL30733854 0.78 HSD17B10 (0.60) TSHRHSD17B10HPGDCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664014-B1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS AKZO NOBEL NV (NL) 1998-08-19 EP disclosed
EP-0824096-A2 Process for the preparation of halogenated (meth)acrylic esters and poly (meth) arcylates obtained with said (meth)acrylic esters Akzo Nobel N.V. (NL) 1998-02-18 EP disclosed
EP-0664014-A1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS Akzo Nobel N.V. (NL) 1995-07-26 EP disclosed
WO-1994008269-A1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS AKZO NOBEL N.V. (NL) 1994-04-14 WO disclosed