SCHEMBL14845441

SCHEMBL14845441

C=CC(=O)OCOc1ccc(C(=O)C(C)(C)OC(=O)C=C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 2/20 0.34
THRA P10827 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR4A2 P43354 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PARP10 Q53GL7 1/20 0.33
GAA P10253 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
SCHEMBL2842968 0.88 THRB (0.57) THRBL3MBTL1ALDH1A1TSHRHPGD
SCHEMBL22479358 0.86 THRB (0.43) THRBADRB2ADRB1ADRB3L3MBTL1
SCHEMBL2843821 0.83 THRB (0.47) THRBL3MBTL1ALDH1A1HPGDTHRA
SCHEMBL10780166 0.82 SMN1; SMN2 (0.35) THRBADRB2ADRB1ADRB3L3MBTL1
SCHEMBL2845219 0.81 CES2 (0.46) ALDH1A1MAPTRAB9APARP10APEX1
Fluoride SCHEMBL27561287 0.80 CES2 (0.44) ALDH1A1MAPTRAB9APARP10APEX1
SCHEMBL12082533 0.80 L3MBTL1 (0.54) THRBL3MBTL1ALDH1A1HPGDHTT
SCHEMBL12994186 0.79 THRB (0.44) THRBTHRAPPARG
SCHEMBL93929 0.79 THRB (0.46) THRBALDH1A1TSHRHPGDHTT
SCHEMBL10013677 0.78 ALDH1A1 (0.55) THRBL3MBTL1ALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed