SCHEMBL16994422

SCHEMBL16994422

O=C(O)c1ccc2c(c1F)OCOC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK8 P45983 1/20 0.38
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PLIN1 O60240 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
CYP1A2 P05177 1/20 0.32
XDH P47989 1/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL16994421 0.82 ALDH1A1 (0.38) CXCR5TDP1APEX1KDM4EALDH1A1
SCHEMBL667829 0.75 MAPK1 (0.44) KDM4EALDH1A1RAB9AASPHKDM8
SCHEMBL31258843 0.74 ALDH1A1 (0.60) CXCR5TDP1APEX1KDM4EALDH1A1
SCHEMBL643308 0.74 ALDH1A1 (0.60) CXCR5TDP1APEX1KDM4EALDH1A1
SCHEMBL668220 0.74 MAPK1 (0.38) CXCR5TDP1APEX1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4260079 0.73 ALDH1A1 (0.59) CXCR5TDP1APEX1KDM4EALDH1A1
SCHEMBL24328620 0.68 KDM4E (0.44) KDM4EALDH1A1NPSR1NPC1RAB9A
SCHEMBL15746651 0.68 KDM4E (0.38) CXCR5TDP1APEX1KDM4EALDH1A1
SCHEMBL668502 0.68 KDM4E (0.36) CXCR5TDP1APEX1KDM4EALDH1A1
SCHEMBL1713540 0.67 CYP1A2 (0.58) KDM4EALDH1A1MAPTASPHKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102648-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-08-11 US disclosed
US-9102648-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2015-08-11 US disclosed