SCHEMBL7038407

SCHEMBL7038407

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.37
EPHX2 P34913 3/20 0.34
CYP17A1 P05093 3/20 0.34
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 3/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.31
THRB P10828 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DPP4 P27487 1/20 0.30
CA2 P00918 1/20 0.30
CYP2C9 P11712 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
SCHEMBL12003303 0.84 CYP19A1 (0.35) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL353381 0.81 EPHX2 (0.35) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL1271393 0.81 CYP19A1 (0.40) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL20261866 0.81 CYP19A1 (0.35) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL283707 0.79 CYP19A1 (0.39) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL21123182 0.79 CYP19A1 (0.39) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL31681090 0.79 CYP19A1 (0.39) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL4154583 0.78 CYP19A1 (0.44) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL4154588 0.78 CYP19A1 (0.38) CYP19A1EPHX2CYP17A1NAAAALDH1A1
SCHEMBL7036973 0.77 CYP19A1 (0.36) CYP19A1EPHX2CYP17A1NAAAALDH1A1

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