SCHEMBL698084

SCHEMBL698084

CCCCCCc1cc(O)ccc1C1(c2ccc(O)cc2CCCCCC)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.53
TYR P14679 3/20 0.53
CYP3A4 P08684 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PTGS2 P35354 6/20 0.42
ESR1 P03372 3/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL10112729 0.81 ALOX5 (0.40) ALOX5TDP1PTGS2ADRA2ASLC6A2
SCHEMBL3809989 0.76 ESR2 (0.46) ALOX5TYRCYP3A4TP53MAPT
SCHEMBL17909638 0.75 OPRD1 (0.33) ESR1ESR2
SCHEMBL30763512 0.74 ALOX5 (0.76) ALOX5TYRCYP3A4TP53MAPT
SCHEMBL10628881 0.74 ALOX5 (0.76) ALOX5TYRCYP3A4TP53MAPT
SCHEMBL10825916 0.74 ALOX5 (0.76) ALOX5TYRCYP3A4TP53MAPT
SCHEMBL11256971 0.74 ALOX5 (0.76) ALOX5TYRCYP3A4TP53MAPT
SCHEMBL10825694 0.74 ALOX5 (0.76) ALOX5TYRCYP3A4TP53MAPT
SCHEMBL10825654 0.74 ALOX5 (0.76) ALOX5TYRCYP3A4TP53MAPT
SCHEMBL10652910 0.74 ESR1 (0.53) ALOX5TYRCYP3A4TP53MAPT

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-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed
EP-2424018-A1 Polyarylene block copolymer having sulfonic acid group and use thereof JSR Corporation (JP) 2012-02-29 EP disclosed