SCHEMBL5615529

SCHEMBL5615529

FC(F)(F)c1ccc(C2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CNR2 P34972 1/20 0.34
KIF11 P52732 2/20 0.32

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
SCHEMBL5094572 0.89 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5615504 0.89 AHR (0.38) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL361847 0.88 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL30284405 0.88 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL2517095 0.84 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL7127029 0.84 TP53 (0.36) KDM4EHPGDNPC1HTTSMN1; SMN2
SCHEMBL9056690 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5615321 0.80 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL1387642 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL9104399 0.77 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTMEN1

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-20070159594-A9 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2007-07-12 US claimed
US-20050254003-A1 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2005-11-17 US claimed
US-20070159594-A9 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2007-07-12 US disclosed
US-20050254003-A1 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2005-11-17 US disclosed