SCHEMBL27917847

SCHEMBL27917847

CC(C)C(C)CCOC(=O)CC=N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CYP19A1 P11511 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27917852 0.85 CYP19A1 (0.44) CHRNB2CHRNA4CYP19A1ALOX15CHRNB4
SCHEMBL27577252 0.75 DGKA (0.45) CHRNB2CHRNA4CYP19A1TDP1
SCHEMBL17219824 0.74
SCHEMBL19557272 0.72 CHRNB2 (0.35) CHRNB2CHRNA4CYP19A1CHRNB4CHRNA3
SCHEMBL6014794 0.71
SCHEMBL16153182 0.71 ATM (0.52) TDP1
SCHEMBL26932442 0.70 CHRNB2 (0.34) CHRNB2CHRNA4CYP19A1CHRNB4CHRNA3
SCHEMBL27917837 0.70 CYP19A1 (0.41) CYP19A1ALOX15TDP1
SCHEMBL23494126 0.69 TSHR (0.53) CHRNB2CHRNA4ALOX15CHRNB4CHRNA3
SCHEMBL17219527 0.69 NAAA (0.59)

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
CN-103080160-A Resin composition, and semiconductor device produced using resin composition SUMITOMO BAKELITE CO 2013-05-01 CN disclosed