SCHEMBL7607309

SCHEMBL7607309

CC(C)(C)c1ccc2oc(-c3ccc(/C=C/c4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 7/20 0.57
GFER P55789 1/20 0.57
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
POLB P06746 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL7607314 1.00 NPC1 (0.57) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL7609481 0.94 NPC1 (0.59) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL14365418 0.94 NPC1 (0.59) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL7887297 0.94 NPC1 (0.64) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL7887300 0.94 NPC1 (0.64) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL8345323 0.93 NPC1 (0.57) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL29881441 0.93 NPC1 (0.57) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL11134813 0.93 NPC1 (0.57) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL28820768 0.88 NPC1 (0.57) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL29882542 0.88 NPC1 (0.57) NPC1RAB9AGFERHDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265876-A1 PREPARATION OF MIXTURES OF BENZOXAZOLYL-STILBENE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-12-18 EP disclosed
WO-2001064658-A1 PREPARATION OF MIXTURES OF BENZOXAZOLYL-STILBENE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2001-09-07 WO disclosed
US-6177574-B1 REACTING 4,4'-BIS(BENZOXAZOL-2-YL)STILBENE WITH AN AMINOPHENOL AT A TEMPERATURE OF AT LEAST 200 DEGREES C IN THE PRESENCE OF AN INERT ORGANIC SOLVENT EASTMAN CHEMICAL COMPANY 2001-01-23 US disclosed