SCHEMBL16588672

SCHEMBL16588672

O=C1CCCC(N(c2ccccc2)c2ccccc2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.39
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ESR1 P03372 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 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
SCHEMBL16588792 0.92 CA1 (0.35) KCNA3CA1CA9CYP3A4ALDH1A1
SCHEMBL14741953 0.89 CA1 (0.41) KCNA3CA1CA9MEN1KMT2A
SCHEMBL14741786 0.85 CYP2D6 (0.38) KCNA3MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL14741833 0.83 USP2 (0.33) KCNA3CYP3A4ALDH1A1CCR5SLC6A2
SCHEMBL16588788 0.82 CA1 (0.34) KCNA3CA1CA9MEN1KMT2A
SCHEMBL14741940 0.81 KCNA3 (0.39) KCNA3CA1CA9MEN1KMT2A
SCHEMBL14741836 0.81 KCNA3 (0.36) KCNA3CA1CA9MEN1KMT2A
SCHEMBL16588831 0.80 CA1 (0.33) CA1CA9MEN1KMT2AALDH1A1
SCHEMBL16588818 0.79 KCNA3 (0.38) KCNA3CA1CA9MEN1KMT2A
SCHEMBL30036856 0.78 KCNA3 (0.47) KCNA3MEN1KMT2ACYP3A4ALDH1A1

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-8993683-B2 Polymers functionalized with lactones or thiolactones containing a protected amino group BRIDGESTONE CORPORATION (JP) 2015-03-31 US claimed
EP-2751142-B1 POLYMERS FUNCTIONALIZED WITH LACTONES OR THIOLACTONES CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORP (JP) 2015-12-09 EP disclosed
US-8993683-B2 Polymers functionalized with lactones or thiolactones containing a protected amino group BRIDGESTONE CORPORATION (JP) 2015-03-31 US disclosed