SCHEMBL8674641

SCHEMBL8674641

OCCOCCCCCCOCCOc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.58
APP P05067 6/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
LTA4H P09960 3/20 0.50
ALDH2 P05091 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1815639 0.93 APP (0.64) NR5A1APPMEN1KMT2AUSP2
SCHEMBL1412773 0.93 APP (0.64) NR5A1APPMEN1KMT2AUSP2
SCHEMBL1412728 0.93 APP (0.64) NR5A1APPMEN1KMT2AUSP2
SCHEMBL1412776 0.93 APP (0.64) NR5A1APPMEN1KMT2AUSP2
SCHEMBL14904484 0.91 APP (0.61) APPMEN1KMT2AUSP2ALDH1A1
SCHEMBL2899073 0.87 APP (0.58) NR5A1APPMEN1KMT2AUSP2
SCHEMBL2901627 0.87 APP (0.58) NR5A1APPMEN1KMT2AUSP2
SCHEMBL14901579 0.87 LTA4H (0.59) NR5A1APPMEN1KMT2AUSP2
SCHEMBL24799496 0.87 APP (0.61) NR5A1APPMEN1KMT2AUSP2
SCHEMBL6860317 0.84 APP (0.67) NR5A1APPMEN1KMT2ALMNA

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-5728745-A PREPARED BY REACTING DI- OR POLYISOCYANATES WITH MONODISPERSE POLYOXYPROPYLENEDIOL HANING LOW UNSATURATION ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1998-03-17 US disclosed