SCHEMBL8944305

SCHEMBL8944305

CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc(Oc3ccc(N(c4ccc(OCCCC)cc4)c4ccc(OCCCC)cc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.68
NR5A1 Q13285 1/20 0.50
PTGES O14684 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL8943576 0.94 LTA4H (0.68) LTA4HNR5A1TSHR
SCHEMBL8943770 0.94 LTA4H (0.68) LTA4HNR5A1TSHR
SCHEMBL8944015 0.94 LTA4H (0.57) LTA4HNR5A1PTGESCYP3A4CYP2D6
SCHEMBL14163830 0.94 LTA4H (0.57) LTA4HNR5A1PTGESCYP3A4CYP2D6
SCHEMBL6288125 0.89 LTA4H (0.83) LTA4HNR5A1CYP3A4CYP2D6CA12
SCHEMBL28307964 0.89 LTA4H (0.83) LTA4HNR5A1CYP3A4CYP2D6CA12
Hydrochloric Acid SCHEMBL8941651 0.87 LTA4H (0.79) LTA4HNR5A1CYP3A4CYP2D6CA12
SCHEMBL12374364 0.86 DRD2 (0.53) LTA4HNR5A1PTGESCYP3A4CYP2D6
SCHEMBL8943807 0.86 AHR (0.53) LTA4HNR5A1PTGESCYP3A4CYP2D6
SCHEMBL8944313 0.86 AHR (0.53) LTA4HNR5A1PTGESCYP3A4CYP2D6

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed