SCHEMBL16432014

SCHEMBL16432014

CCCCCC(CC(CC)CCCC)c1ccsc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CYP3A4 P08684 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL27408998 0.84 NR1I2 (0.40) NR1I2CA2
SCHEMBL941963 0.84 NR1I2 (0.46) NR1I2CA2
SCHEMBL14516277 0.82 NR1I2 (0.41) NR1I2ALDH1A1TSHRKDM4EGLA
SCHEMBL18885123 0.82 NR1I2 (0.41) NR1I2CA2
SCHEMBL19788245 0.82 NR1I2 (0.41) NR1I2CA2
SCHEMBL22166101 0.82 NR1I2 (0.41) NR1I2CA2
SCHEMBL28774586 0.82 NR1I2 (0.41) NR1I2CA2
SCHEMBL18965267 0.82 NR1I2 (0.41) NR1I2CA2
SCHEMBL20760340 0.80 NR1I2 (0.39) NR1I2CA2
SCHEMBL12193852 0.79 CHRNB2 (0.34) NR1I2CYP3A4CA2

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
US-10059796-B2 Conjugated polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-08-28 US disclosed
US-20160194439-A1 CONJUGATED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-07-07 US disclosed
WO-2015013747-A1 CONJUGATED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2015-02-05 WO disclosed