SCHEMBL1753658

SCHEMBL1753658

CCc1cc(C(C)(C)c2ccc(OCC3CO3)cc2)cc(C)c1OCC1CO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
TP53 P04637 3/20 0.68
TSHR P16473 3/20 0.68
MAPT P10636 3/20 0.68
HPGD P15428 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
HIF1A Q16665 2/20 0.68
CYP1A2 P05177 1/20 0.68
PPARG P37231 1/20 0.68
PKM P14618 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 1/20 0.41
GLA P06280 1/20 0.37
GRM2 Q14416 3/20 0.36
VDR P11473 1/20 0.36
RAB9A P51151 5/20 0.35

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
SCHEMBL15237117 0.94 ALDH1A1 (0.61) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL10459923 0.86 ALDH1A1 (0.74) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL16521907 0.86 ALDH1A1 (0.58) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL19651993 0.86 ALDH1A1 (0.58) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2832966 0.86 ALDH1A1 (0.54) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL14225533 0.84 ALDH1A1 (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL15835600 0.84 TSHR (0.69) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL15934083 0.84 ALDH1A1 (0.90) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL13181791 0.84 ALDH1A1 (0.56) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL12440176 0.83 ALDH1A1 (1.00) ALDH1A1TP53TSHRMAPTHPGD

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
US-8444899-B2 Methods and materials for fabricating microfluidic devices THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-05-21 US disclosed
US-20120256354-A1 METHODS AND MATERIALS FOR FABRICATING MICROFLUIDIC DEVICES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-10-11 US disclosed
US-8158728-B2 Methods and materials for fabricating microfluidic devices THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-04-17 US disclosed
US-20090281250-A1 METHODS AND MATERIALS FOR FABRICATING MICROFLUIDIC DEVICES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-11-12 US disclosed