SCHEMBL5141122

SCHEMBL5141122

C=CCc1ccc(CC=C)c(S)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
MAPT P10636 4/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 1/20 0.48
GABRA1 P14867 9/20 0.48
GABRB2 P47870 9/20 0.48
ALDH1A1 P00352 5/20 0.48
CNR2 P34972 5/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
CNR1 P21554 2/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH2 P05091 1/20 0.48
AKR1B1 P15121 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX5 P09917 5/20 0.46

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
SCHEMBL2050350 0.82 XDH (0.54) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL1245219 0.80 GABRA1 (0.61) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL13078080 0.79 XDH (0.68) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL5907655 0.78 XDH (0.50) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL173301 0.78 ALDH1A1 (0.64) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL8584372 0.77 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL4451593 0.77 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL8645587 0.77 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL7846085 0.77 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL1006107 0.77 XDH (0.70) XDHMAPTCYP3A4CYP1A2GABRA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080175992-A1 Process For Coating Fine Particles With Conductive Polymers CHEMETALL GMBH (DE) 2008-07-24 US claimed
US-20120208086-A1 PROCESS FOR COATING FINE PARTICLES WITH CONDUCTIVE POLYMERS DEFENSE THREAT REDUCTION AGENCY; DEPT. OF DEFENSE; UNITED STATES GOVERNMENT 2012-08-16 US disclosed
US-20080175992-A1 Process For Coating Fine Particles With Conductive Polymers CHEMETALL GMBH (DE) 2008-07-24 US disclosed
US-20080171211-A1 Using electrically conductive polymer which during change in potential releases anions which inhibit the anodic or/and cathodic partial reaction of corrosion or/and releases adhesion-promoting anions CHEMETALL GMBH (DE) 2008-07-17 US disclosed