SCHEMBL4352095

SCHEMBL4352095

O=C(O)c1ccc(C2CC3C=CC2C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
SRD5A2 P31213 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA3 P07451 1/20 0.36
TYR P14679 1/20 0.36
DRD1 P21728 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL8686930 0.88 LMNA (0.37) EPHX2SRD5A2ALDH1A1KDM4ELMNA
SCHEMBL6234699 0.83 KDM1A (0.38) TSHRALDH1A1KDM4ELMNAMAOA
SCHEMBL16530012 0.83 KDM1A (0.38) TSHRALDH1A1KDM4ELMNAMAOA
SCHEMBL21525759 0.79 KDM1A (0.42) TSHRKDM4ELMNAMAOBKDM1A
SCHEMBL21525760 0.79 KDM1A (0.42) TSHRKDM4ELMNAMAOBKDM1A
SCHEMBL1868041 0.78 KDM1A (0.50) ALDH1A1KDM4ELMNAKDM1A
SCHEMBL109753 0.77 MAOB (0.46) TSHRKDM4ELMNAMAOAMAOB
SCHEMBL22263852 0.77 CA12 (0.43) ALDH1A1CA1CA2CA12CA9
SCHEMBL22263677 0.77 PDCD1 (0.48) TSHRTP53ALDH1A1CA1CA2
SCHEMBL200919 0.77 KDM1A (0.55) TSHRKDM4ELMNAMAOAMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed
US-20040191602-A1 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2004-09-30 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed