SCHEMBL4444809

SCHEMBL4444809

c1ccc2cc(-c3cccc4c3ccc3ccccc34)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.56
GSTP1 P09211 1/20 0.53
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
CYP2A6 P11509 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1B1 Q16678 2/20 0.46
HIF1A Q16665 2/20 0.46
MCL1 Q07820 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
PIM1 P11309 2/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
CYP1A1 P04798 1/20 0.45
ESR2 Q92731 2/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL1527419 0.94 HPRT1 (0.54) HPRT1GSTP1HDAC4HDAC2HDAC8
SCHEMBL28336706 0.92 HPRT1 (0.56) HPRT1GSTP1HDAC8ALDH1A1HSD17B10
SCHEMBL30274189 0.92 GSTP1 (0.57) GSTP1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL598962 0.92 GSTP1 (0.57) GSTP1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL3176171 0.92 GSTP1 (0.61) GSTP1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL57494 0.90 ALDH1A1 (0.54) HPRT1GSTP1HDAC8ALDH1A1HSD17B10
SCHEMBL31742566 0.90 MCL1 (0.54) GSTP1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL9223723 0.90 GSTP1 (0.59) GSTP1HDAC4HDAC2HDAC8MCL1
SCHEMBL1234337 0.89 GSTP1 (0.50) HPRT1GSTP1HDAC4HDAC2HDAC8
SCHEMBL23759308 0.88 HPRT1 (0.44) HPRT1GSTP1HDAC4HDAC2HDAC8

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
CN-102464568-B 9, 10-bisphenylphenanthrene derivative and organic light-emitting diode thereof ZHENG JIANHONG (CN) 2015-11-25 CN disclosed
CN-102464568-A 9, 10-bisphenylphenanthrene derivative and organic light-emitting diode thereof CHIEN-HONG CHENG 2012-05-23 CN disclosed
JP-2009267378-A ORGANIC LIGHT-EMITTING ELEMENT CANON INC 2009-11-12 JP disclosed