SCHEMBL12923907

SCHEMBL12923907

CCN(CC)CCC(=O)OC(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
CHRM2 P08172 4/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 1/20 0.34
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PAOX Q6QHF9 1/20 0.32
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BCHE P06276 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CDYL Q9Y232 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
SCHEMBL18195629 0.84 MEN1 (0.36) MEN1KMT2ATSHRCHRM2CHRM1
SCHEMBL19822022 0.82 DNM1 (0.37) MEN1KMT2ATSHRCHRM2CHRM1
SCHEMBL142215 0.81 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL14389484 0.79 MEN1 (0.34) MEN1KMT2ATSHRCHRM2CHRM1
SCHEMBL1998916 0.77 ALDH1A1 (0.50) TSHRALDH1A1TDP1
SCHEMBL19822045 0.76 DNM1 (0.42) TSHRPAOXALDH1A1CYP2D6
SCHEMBL12083658 0.75 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL8011953 0.75 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL17860728 0.74 ALDH1A1 (0.33) TSHRALDH1A1TDP1
SCHEMBL16326707 0.74 ALDH1A1 (0.43) TSHRALDH1A1TDP1

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-7866807-B2 Ink set for ink jet recording, ink for ink jet recording, and ink jet image recording method FUJIFILM CORPORATION (JP) 2011-01-11 US disclosed
US-20090081367-A1 Ink set for ink jet recording, ink for ink jet recording, and ink jet image recording method FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed