SCHEMBL5345238

SCHEMBL5345238

C=C(C)C(=O)OCC(Nc1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
ELANE P08246 1/20 0.35
GPR174 Q9BXC1 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL6569467 0.82 TSHR (0.51) TSHRALDH1A1KDM4EELANEGPR174
SCHEMBL3683113 0.79 TSHR (0.44) TSHRALDH1A1KDM4EELANEGPR174
SCHEMBL8886282 0.76 TSHR (0.53) TSHRALDH1A1
SCHEMBL11465517 0.73 TSHR (0.47) TSHRALDH1A1KDM4EADRB2ADRB1
SCHEMBL16595000 0.73 TDP1 (0.41) TSHRALDH1A1KDM4EELANETDP1
SCHEMBL29020440 0.73 TSHR (0.50) TSHRALDH1A1
SCHEMBL2574848 0.72 ALDH1A1 (0.41) TSHRALDH1A1KDM4EELANEGPR174
SCHEMBL3180135 0.72 TSHR (0.53) TSHRALDH1A1ELANETDP1POLB
SCHEMBL13872067 0.72 LMNA (0.52) TSHRALDH1A1GPR174TDP1HPGD
SCHEMBL23115524 0.71 TSHR (0.49) TSHRALDH1A1GPR174TDP1HPGD

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
WO-2007083154-A1 AMPHIPATHIC POLYMER CONJUGATES FOR SOLUBILISATION OF HYDROPHOBIC PROTEINS BABRAHAM BIOSCIENCE TECHNOLOGIES LIMITED (GB) 2007-07-26 WO disclosed