SCHEMBL7708734

SCHEMBL7708734

Cc1ccc(C2(C)C(C#N)C(=O)NC(=O)C2C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 7/20 0.38
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
CYP2A6 P11509 1/20 0.32
OPRM1 P35372 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31
DDB1 Q16531 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
SCHEMBL7711524 0.85 CYP19A1 (0.39) MAPTDDB1CRBN
SCHEMBL7711634 0.85 KMT2A (0.37) MGAT2ALDH1A1GAANPSR1SLC6A2
SCHEMBL7712056 0.85 MMP2 (0.42) MGAT2ALDH1A1GAAKCNH2
SCHEMBL7711508 0.85 MGAT2 (0.36) MGAT2
SCHEMBL7711516 0.84 MMP2 (0.39) MGAT2ALDH1A1GAAKCNH2MAPT
SCHEMBL7711693 0.82 DDB1 (0.35) MGAT2ALDH1A1GAANPSR1MAPT
SCHEMBL7711504 0.82 MMP2 (0.39) MGAT2ALDH1A1GAASLC6A2MAPT
SCHEMBL23727765 0.81 PGR (0.40) ALDH1A1NPSR1MAPTCRBN
SCHEMBL7708718 0.76 OPRM1 (0.39) SLC6A2SLC6A3SLC6A4OPRM1DDB1
SCHEMBL23089084 0.75 MAPK1 (0.33)

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-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed