SCHEMBL22708012

SCHEMBL22708012

c1ccc2cc(-c3cccc4c(-c5c6cccc(-c7cccc8c7c7cccc9c%10ccccc%10n8c97)c6cc6c(-c7cccc8c7c7cccc9c%10ccccc%10n8c97)cccc56)c5cccc(-c6ccc7ccccc7c6)c5cc34)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
S1PR4 O95977 4/20 0.34
S1PR5 Q9H228 4/20 0.34
GSTP1 P09211 1/20 0.34
PIM1 P11309 2/20 0.33
MET P08581 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
PRKDC P78527 1/20 0.32
CNR2 P34972 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 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
SCHEMBL22707561 0.94 PIM1 (0.33) HDAC4HDAC2HDAC8S1PR4S1PR5
SCHEMBL22707582 0.92 S1PR4 (0.31) HDAC4HDAC2HDAC8S1PR4S1PR5
SCHEMBL22708000 0.91 ALOX5 (0.34) HDAC4HDAC2HDAC8PIM1HSD17B1
SCHEMBL22708010 0.89 HDAC4 (0.35) HDAC4HDAC2HDAC8S1PR4S1PR5
SCHEMBL22707579 0.89 HDAC4 (0.38) HDAC4HDAC2HDAC8S1PR4S1PR5
SCHEMBL22707154 0.87 ALDH1A1 (0.35) GPR84TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22707528 0.86 CES1 (0.42) GPR84ALDH1A1HPGDTSHRMAPK1
SCHEMBL22707927 0.86 KDM4E (0.34) PRKDCALDH1A1HPGDHSD17B10
SCHEMBL21718239 0.85 GSTP1 (0.43) HDAC4HDAC2HDAC8S1PR4S1PR5
SCHEMBL22706398 0.84 ALDH1A1 (0.37) ALDH1A1HPGDTSHRMAPK1CASP1

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed