SCHEMBL2745334

SCHEMBL2745334

O=C(O)C(c1cc(-c2ccsc2)sc1-c1ccsc1)C1CC2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34

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 0.71 IKBKB (0.33) IKBKBALDH1A1MAPTHDAC6PTPRF
SCHEMBL2745097 0.69 IKBKB (0.32) IKBKBALDH1A1MAPTHDAC6
SCHEMBL942928 0.66 KDM4E (0.40) ALDH1A1
SCHEMBL21525764 0.64 PTGS2 (0.41) ALDH1A1
SCHEMBL545557 0.58 APEX1 (0.42) ALDH1A1
SCHEMBL3293689 0.57 KDM4E (0.39) ALDH1A1
SCHEMBL22941781 0.57 KDM4E (0.39) ALDH1A1
SCHEMBL25946742 0.57 KDM4E (0.39) ALDH1A1
SCHEMBL14053439 0.57 GRM5 (0.47)
SCHEMBL3352074 0.56 POLB (0.58) IKBKBALDH1A1MAPTHDAC6PTPRF

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 1 patent. 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