SCHEMBL9837217

SCHEMBL9837217

CCC/C=C(\CC)C(O)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.37
CYP2C9 P11712 9/20 0.37
CYP2C19 P33261 9/20 0.37
CYP2D6 P10635 4/20 0.37
TSHR P16473 9/20 0.36
CYP1A2 P05177 9/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPK1 P28482 3/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ABCB1 P08183 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL9837221 1.00 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19CYP2D6TSHR
SCHEMBL9691693 0.80 SMN1; SMN2 (0.37) TSHRCA1CA2SMN1; SMN2ZDHHC7
SCHEMBL9691687 0.80 SMN1; SMN2 (0.37) TSHRCA1CA2SMN1; SMN2ZDHHC7
SCHEMBL9835716 0.79 CA1 (0.36) CYP3A4CYP2C9CYP2C19CYP2D6TSHR
SCHEMBL9835712 0.79 CA1 (0.36) CYP3A4CYP2C9CYP2C19CYP2D6TSHR
SCHEMBL9837586 0.76 MAPT (0.42) CA1CA2MAPK1ZDHHC7ALDH1A1
SCHEMBL9837589 0.76 MAPT (0.42) CA1CA2MAPK1ZDHHC7ALDH1A1
SCHEMBL4180086 0.73 TSHR (0.33) CYP3A4CYP2C19CYP2D6TSHRCYP1A2
SCHEMBL21625680 0.71 BACE1 (0.32) CYP3A4CYP2C19CYP2D6TSHRCYP1A2
SCHEMBL21625679 0.71 BACE1 (0.32) CYP3A4CYP2C19CYP2D6TSHRCYP1A2

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-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed