SCHEMBL7677901

SCHEMBL7677901

COc1ccc(C2(c3ccc(OC)cc3)CC(=O)c3c(-c4ccc(OC)cc4OC)c(OC(C)=O)c4ccccc4c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
BACE1 P56817 3/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KLK7 P49862 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

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
SCHEMBL5754594 0.78 BACE1 (0.39) EDNRBEDNRABACE1KDM4EALDH1A1
SCHEMBL7604815 0.70 KMT2A (0.39) EDNRAKDM4EALDH1A1NPC1RAB9A
SCHEMBL31261718 0.68 CYP3A4 (0.50) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL28555811 0.67 PDE4A (0.36) EDNRBEDNRAKDM4EALDH1A1NPC1
SCHEMBL28555812 0.65 BACE1 (0.39) BACE1KDM4EALDH1A1NPC1RAB9A
SCHEMBL28397329 0.63 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2KLK7PPIB
SCHEMBL5751498 0.63 KDM4E (0.42) BACE1KDM4EALDH1A1NPC1RAB9A
SCHEMBL28866215 0.63 CYP1A1 (0.59) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL31261731 0.62 ALDH1A1 (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL31261750 0.62 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2ANPSR1

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-6478989-B1 Aromatic substituted naphthopyrans TRANSITIONS OPTICAL, INC. 2002-11-12 US disclosed