SCHEMBL7036973

SCHEMBL7036973

C=CC(=C)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.36
NAAA Q02083 1/20 0.35
CYP17A1 P05093 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
EPHX2 P34913 2/20 0.33
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA2 P00918 1/20 0.32
EPHX1 P07099 1/20 0.31
TSHR P16473 1/20 0.31
TGM2 P21980 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL16369107 0.80 CYP19A1 (0.40) CYP19A1NAAACYP17A1NPSR1EPHX2
Acrylic Acid SCHEMBL28320730 0.80 THRB (0.36) CYP19A1NAAACYP17A1NPSR1EPHX2
SCHEMBL27736443 0.80 CYP19A1 (0.44) CYP19A1NAAACYP17A1NPSR1EPHX2
SCHEMBL8399502 0.79 CYP19A1 (0.39) CYP19A1NAAACYP17A1NPSR1EPHX2
SCHEMBL21392499 0.79 CYP19A1 (0.39) CYP19A1NAAACYP17A1NPSR1EPHX2
SCHEMBL43550 0.79 NAAA (0.41) CYP19A1NAAACYP17A1NPSR1EPHX2
SCHEMBL5978171 0.78 NAAA (0.37) CYP19A1NAAACYP17A1NPSR1EPHX2
SCHEMBL7038407 0.77 CYP19A1 (0.37) CYP19A1NAAACYP17A1NPSR1EPHX2
SCHEMBL4871297 0.77 NAAA (0.33) CYP19A1NAAACYP17A1NPSR1THRB
SCHEMBL22769989 0.77 CYP19A1 (0.38) CYP19A1NAAACYP17A1NPSR1EPHX2

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-0942018-B1 (METH)ACRYLIC ESTER COPOLYMERS AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO (JP) 2003-03-12 EP disclosed
US-6218485-B1 LIVING ANIONIC POLYMERIZATION USING AN ORGANIC ALKALI METAL AND/OR AN ALKALI METAL AS A POLYMERIZATION INITIATOR, WHEREIN A TARGET MOLECULAR WEIGHT IS OBTAINED BY ADDING THE COMPOUND DIVIDED INTO MULTIPLE STEPS. NIPPON SODA CO., LTD. (JP) 2001-04-17 US disclosed
EP-0942018-A1 (METH)ACRYLIC ESTER COPOLYMERS AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1999-09-15 EP disclosed