SCHEMBL8777544

SCHEMBL8777544

CCCCN(CCCC)c1ccc(C(COCC(c2ccc(N(CCCC)CCCC)cc2)c2ccc(N(CC)CC)cc2OCC)c2ccc(N(CC)CC)cc2OCC)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.36
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
RXRA P19793 4/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8777819 0.92 ALDH1A1 (0.38) CNR2RXRARXRBRXRGALDH1A1
SCHEMBL8777692 0.91 MEN1 (0.35) CNR2SLC16A3SLC16A1RXRAALDH1A1
SCHEMBL8777564 0.87 SLC16A3 (0.36) CNR2SLC16A3SLC16A1RXRAKDM4E
SCHEMBL8777774 0.86 S100B (0.38) CNR2SLC16A3SLC16A1ALDH1A1KDM4E
SCHEMBL8777832 0.85 TDP1 (0.39) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL8777590 0.84 ALDH1A1 (0.41) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL8777547 0.82 SLC16A3 (0.36) CNR2SLC16A3SLC16A1RXRAALDH1A1
SCHEMBL8777730 0.81 TDP1 (0.42) SLC16A3SLC16A1KDM4EPOLBGAA
SCHEMBL8777634 0.78 CNR2 (0.41) CNR2SLC16A3SLC16A1RXRAALDH1A1
SCHEMBL8777733 0.76 GAA (0.36) CNR2SLC16A3SLC16A1ALDH1A1KDM4E

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
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5478793-A Basic dye-containing layer and color accetpor-containing layer formed on same or different surfaces; basic dye enclosed in synthetic polymer microcapsules, color acceptor is activated clay containing silica KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-12-26 US disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed