SCHEMBL6271797

SCHEMBL6271797

CCCCCOCCCCOP(=O)(OCCCCOCCCCC)OCCCCOCCCCC

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.75
TSHR P16473 1/20 0.75
LPAR3 Q9UBY5 8/20 0.56
LPAR2 Q9HBW0 5/20 0.56
LPAR1 Q92633 4/20 0.56
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
LPAR5 Q9H1C0 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
SCHEMBL6269581 0.98 CYP3A4 (0.72) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL6266753 0.98 CYP3A4 (0.72) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL18444274 0.96 CYP3A4 (0.69) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL6273301 0.95 CYP3A4 (0.83) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL7596085 0.94 CYP3A4 (0.73) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL6273415 0.93 CYP3A4 (0.87) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL6271511 0.93 CYP3A4 (0.79) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL56777 0.93 CYP3A4 (0.84) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL22974798 0.92 CYP3A4 (0.77) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL5427069 0.92 CYP3A4 (0.84) CYP3A4TSHRLPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157055-B1 THERMOSETTING POLY URETHANE/UREA-FORMING COMPOSITIONS CROMPTON CORP (US) 2005-12-14 EP disclosed
US-6369156-B1 CURABLE MIXTURE; AROMATIC POLYAMINE CONTAINING THIOETHER GROUP, PHOSPHATE ESTER, AND ALDEHYDE OR ALDEHYDE-FORMING COMPOUND; DISCOLORATION INHIBITION VANTICO INC. 2002-04-09 US disclosed
EP-1157055-A1 THERMOSETTING POLY URETHANE/UREA-FORMING COMPOSITIONS Vantico AG (CH) 2001-11-28 EP disclosed
EP-1097952-A1 Polurethane/Polyurea-forming compositions Vantico AG (CH) 2001-05-09 EP disclosed
WO-2000035983-A1 THERMOSETTING POLY URETHANE/UREA-FORMING COMPOSITIONS VANTICO AG (CH) 2000-06-22 WO disclosed