SCHEMBL8475792

SCHEMBL8475792

CC(C)(C)[Si](OC(=O)c1cccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
AKR1C3 P42330 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
POLB P06746 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
SCHEMBL7816710 0.89 TSHR (0.47) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL27358205 0.87 AKR1C3 (0.53) AKR1C3NPC1RAB9ANR4A1NR4A2
SCHEMBL8475788 0.87 TDP1 (0.40) ESR1ESR2AKR1C3NPC1RAB9A
SCHEMBL3321749 0.86 MAOB (0.50) AKR1C3NPC1RAB9AMAPTMAOB
SCHEMBL8473591 0.84 LMNA (0.54) MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL10499188 0.84 ESR1 (0.40) ESR1ESR2AKR1C3NPC1RAB9A
SCHEMBL10500293 0.83 NPC1 (0.45) ESR1ESR2NPC1RAB9ATDP1
SCHEMBL7805483 0.83 SMN1; SMN2 (0.42) AKR1C3NPC1RAB9ATDP1MAPT
SCHEMBL3319281 0.82 GSK3B (0.49) AKR1C3NPC1RAB9ATDP1MAOB
SCHEMBL7898892 0.81 MEN1 (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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-5869698-A 1,2-dioxetane compounds as chemiluminescent labels for organic and biological molecules BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1999-02-09 US disclosed
US-5795987-A LUMINESCENCE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1998-08-18 US disclosed
US-5770743-A IMMUNOASSAY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1998-06-23 US disclosed
EP-0473984-A1 1,2-Dioxetane compounds as chemiluminescent labels for organic and biological molecules THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1992-03-11 EP disclosed