SCHEMBL7991306

SCHEMBL7991306

C1=C(c2c[se]cc2C2=CCCC2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TYMP P19971 1/20 0.32
GRM2 Q14416 1/20 0.32
PSMB5 P28074 3/20 0.32
PTGS2 P35354 1/20 0.32
F2RL1 P55085 1/20 0.31
KDR P35968 1/20 0.31
PSMB1 P20618 1/20 0.31
ACMSD Q8TDX5 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
SCHEMBL7988138 0.93 PSMB5 (0.38) CCNE1CDK2TYMPPSMB5PTGS2
SCHEMBL15048839 0.74 TYMP (0.40) CCNE1CDK2TYMPGRM2PSMB5
SCHEMBL604266 0.74 TYMP (0.40) CCNE1CDK2TYMPGRM2PSMB5
SCHEMBL28758944 0.72 PTGS2 (0.51) CCNE1CDK2TYMPGRM2PSMB5
SCHEMBL2744786 0.70 PSMB5 (0.34) CCNE1CDK2TYMPGRM2PSMB5
SCHEMBL28649782 0.69
SCHEMBL1109730 0.69 TYMP (0.41) CCNE1CDK2TYMPPSMB5PTGS2
SCHEMBL3343472 0.69
SCHEMBL5136081 0.67
SCHEMBL5960583 0.67 TYMP (0.39) TYMPPSMB5PTGS2PSMB1ACMSD

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-6197922-B1 ELECTROCHEMICAL POLYMERIZATION USING PALLADIUM COMPLEX CATALYST; STILLE AND SUZUKI REACTIONS BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0902043-A2 Polyselenophenes, process for their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1999-03-17 EP disclosed