SCHEMBL1324360

SCHEMBL1324360

CCC=C(C#N)C(=O)OOOC(=O)C(C#N)=CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 6/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTP4A1 Q93096 1/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL4135131 0.86 CYP2C9 (0.40) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL668298 0.85 CYP2C9 (0.42) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL29087664 0.82 CYP2C9 (0.37) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL1655805 0.82 CYP2C9 (0.37) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL29372513 0.82 CYP2C9 (0.37) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL10167752 0.82 CYP2C9 (0.42) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL2671871 0.82 CYP2C9 (0.42) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL29087660 0.80 CYP2C9 (0.36) CYP2C9ALDH1A1TSHRPKMHTT
SCHEMBL4181528 0.80 CYP2C9 (0.41) CYP2C9ALDH1A1TSHRMAPTKDM4E
SCHEMBL11269373 0.80 CYP2C9 (0.62) CYP2C9ALDH1A1TSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8057651-B1 Electrochemical sensor with nano-wire array THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-11-15 US disclosed
EP-0563331-A1 A BIOLOGICALLY DERIVED MEDICAL ADHESIVE AND ITS USES BAUSCH & LOMB INCORPORATED (US) 1993-10-06 EP disclosed
WO-1992013578-A1 A BIOLOGICALLY DERIVED MEDICAL ADHESIVE AND ITS USES BAUSCH & LOMB INCORPORATED (US) 1992-08-20 WO disclosed
EP-0466383-A1 A collagen medical adhesive and its uses BAUSCH & LOMB INCORPORATED (US) 1992-01-15 EP disclosed