SCHEMBL7874436

SCHEMBL7874436

CCCCCCCCCCOc1ccc(-c2ccccc2I)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.54
NR5A1 Q13285 1/20 0.51
RARB P10826 3/20 0.50
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTPN11 Q06124 2/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.46
PLA2G4B P0C869 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6933540 1.00 LTA4H (0.54) LTA4HNR5A1RARBCYP2D6CYP1A2
SCHEMBL145007 1.00 LTA4H (0.54) LTA4HNR5A1RARBCYP2D6CYP1A2
SCHEMBL7874461 1.00 LTA4H (0.54) LTA4HNR5A1RARBCYP2D6CYP1A2
Hydrochloric Acid SCHEMBL3403778 0.98 LTA4H (0.53) LTA4HNR5A1RARBCYP2D6CYP1A2
SCHEMBL6547657 0.95 LTA4H (0.53) LTA4HCYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL27804520 0.94 LTA4H (0.49) LTA4HNR5A1RARBCYP2D6CYP1A2
SCHEMBL28493109 0.94 LTA4H (0.49) LTA4HNR5A1RARBCYP2D6CYP1A2
SCHEMBL27664857 0.93 LTA4H (0.48) LTA4HNR5A1RARBCYP2D6CYP1A2
SCHEMBL27604585 0.93 LTA4H (0.48) LTA4HNR5A1RARBCYP2D6CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL4619542 0.86 PDK2 (0.46) LTA4HNR5A1RARBPTPN11TP53

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
CN-1649559-B Photosensitive adhesive composition PROD DENTAIRES PIERRE ROLLAND 2010-05-05 CN claimed
EP-0565798-B2 Ultraviolet radiation-curable coatings for optical fibers and optical fibers coated therewith BORDEN CHEM INC (US) 2001-03-07 EP claimed
EP-0565798-B1 Ultraviolet radiation-curable coatings for optical fibers and optical fibers coated therewith BORDEN INC (US) 1998-01-14 EP claimed
CN-1649559-B Photosensitive adhesive composition PROD DENTAIRES PIERRE ROLLAND 2010-05-05 CN disclosed
CN-1649559-A Photosensitive adhesive composition PROD DENTAIRES PIERRE ROLLAND (FR) 2005-08-03 CN disclosed