SCHEMBL13201153

SCHEMBL13201153

C=CC1CC(/C=C\C2CC(C=C)C(C(C)(C)C)C2)C(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CASP3 P42574 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 4/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13201265 0.87 POLB (0.38) POLBCYP2C19CYP1A2CYP2C9CASP3
SCHEMBL13201217 0.84 POLB (0.46) POLBCYP2C19CYP1A2CYP2C9CASP3
SCHEMBL13294095 0.78 CYP1A2 (0.35) POLBCYP2C19CYP1A2CYP2C9CASP3
SCHEMBL13201245 0.78 CYP1A2 (0.35) POLBCYP2C19CYP1A2CYP2C9CASP3
SCHEMBL13201220 0.73 NPSR1 (0.32) POLBNPSR1
SCHEMBL13201211 0.73 NPSR1 (0.32) POLBNPSR1
SCHEMBL14409134 0.73 NPSR1 (0.32) POLBNPSR1
SCHEMBL13928082 0.68 NPSR1 (0.32) POLBCYP2C19CYP1A2CYP2C9NPSR1
SCHEMBL21744319 0.67 CYP1A2 (0.45) CYP2C19CYP1A2CYP2C9CASP3MMP1
SCHEMBL4743617 0.66 CYP1A2 (0.53) CYP2C19CYP1A2CYP2C9NPSR1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772341-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2010-08-10 US disclosed
US-7271230-B2 Norbornene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-09-18 US disclosed
US-20070073017-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed