SCHEMBL2744834

SCHEMBL2744834

C1=C(c2cscc2C2=CCCCC2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 10/20 0.40
PSMB1 P20618 2/20 0.40
PTGS2 P35354 1/20 0.38
KDR P35968 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
TYMP P19971 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL2744786 0.93 PSMB5 (0.34) PSMB5PSMB1PTGS2KDRCCNE1
SCHEMBL27173426 0.86 PSMB5 (0.45) PSMB5PSMB1PTGS2KDRCCNE1
SCHEMBL7209639 0.86 PSMB5 (0.38) PSMB5PSMB1PTGS2KDRCCNE1
SCHEMBL7203713 0.78 ACMSD (0.37) PSMB5PSMB1PTGS2CCNE1CDK2
Hydrochloric Acid SCHEMBL29019116 0.76 TYMP (0.39) PSMB5PSMB1PTGS2CCNE1CDK2
SCHEMBL296554 0.76 TYMP (0.42) PSMB5PSMB1PTGS2CCNE1CDK2
SCHEMBL3233362 0.73 TYMP (0.41) PSMB5PSMB1PTGS2CCNE1CDK2
SCHEMBL18244171 0.73 TYMP (0.41) PSMB5PSMB1PTGS2CCNE1CDK2
SCHEMBL21057468 0.73 TYMP (0.41) PSMB5PSMB1PTGS2CCNE1CDK2
SCHEMBL11201526 0.73 TYMP (0.41) PSMB5PSMB1PTGS2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US claimed
US-20040242792-A1 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom CONNECTICUT, THE UNIVERSITY OF 2004-12-02 US 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-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US disclosed
WO-2006084088-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2006-08-10 WO disclosed
WO-2005014693-A1 METHOD OF CROSSLINKING INTRINSICALLY CONDUCTIVE POLYMERS OR INTRINSICALLY CONDUCTIVE POLYMER PRECURSORS AND THE ARTICLES OBTAINED THEREFROM UNIVERSITY OF CONNECTICUT (US) 2005-02-17 WO disclosed
US-20040242792-A1 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom CONNECTICUT, THE UNIVERSITY OF 2004-12-02 US disclosed
EP-0885251-B1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AG (DE) 2001-08-16 EP disclosed
US-6242561-B1 USED AS SEMICONDUCTORS; ELECTROCHROMIC AND ANTISTATIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
EP-0885251-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997032914-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed