SCHEMBL3101103

SCHEMBL3101103

CCCOC([O])C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
ADH1A P07327 2/20 0.33
TSHR P16473 2/20 0.33
EPHX1 P07099 2/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL22472261 0.85 TSHR (0.41) TSHREPHX1ALDH1A1
SCHEMBL22346020 0.85 TSHR (0.41) TSHREPHX1ALDH1A1
SCHEMBL1357062 0.83 SHBG (0.44) SHBGTSHREPHX1ALDH1A1
SCHEMBL2700537 0.78 SHBG (0.44) SHBGADH1ATSHREPHX1CYP1A2
SCHEMBL11853870 0.78 SHBG (0.44) SHBGADH1ATSHREPHX1CYP1A2
SCHEMBL16287560 0.78 SHBG (0.44) SHBGADH1ATSHREPHX1CYP1A2
SCHEMBL16286822 0.78 SHBG (0.44) SHBGADH1ATSHREPHX1CYP1A2
SCHEMBL9369610 0.77 SMN1; SMN2 (0.36) TSHRALDH1A1CYP3A4
SCHEMBL16287565 0.76 SHBG (0.41) SHBGEPHX1CYP1A2CYP2D6CYP2C19
SCHEMBL6437481 0.75 SHBG (0.46) SHBGTSHREPHX1CYP1A2CYP2D6

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-8211621-B2 Antireflective coating compositions AZ ELECTRONIC MATERIALS USA CORP. (US) 2012-07-03 US disclosed
US-20100248137-A1 Antireflective Coating Compositons MERCK PATENT GMBH (DE) 2010-09-30 US disclosed