SCHEMBL2745097

SCHEMBL2745097

O=C(Cc1cc(-c2ccsc2)sc1-c1ccsc1)OCC1CC2C=CC1C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL2744887 0.84 IKBKB (0.33) IKBKBALDH1A1MAPTHDAC6
SCHEMBL2744940 0.79 HDAC1 (0.34) ALDH1A1MAPT
SCHEMBL2745334 0.69 IKBKB (0.34) IKBKBALDH1A1MAPTHDAC6
SCHEMBL414809 0.66 EPHX2 (0.41) ALDH1A1
SCHEMBL14089838 0.64 GAA (0.38) ALDH1A1MAPT
SCHEMBL10100088 0.64 KDM4E (0.36) ALDH1A1MAPT
SCHEMBL1087442 0.64 EPHX2 (0.40) ALDH1A1
SCHEMBL8614083 0.64 EPHX2 (0.40) ALDH1A1
SCHEMBL457240 0.64 KDM4E (0.41) ALDH1A1MAPT
SCHEMBL14434848 0.63 KDM4E (0.39) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US claimed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US claimed
WO-2006084088-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2006-08-10 WO claimed
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed
WO-2006084088-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2006-08-10 WO disclosed