SCHEMBL4605022

SCHEMBL4605022

O=C(O)c1ccc(C(=O)OC2(C3CCCCC3)CCCCC2)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
KMO O15229 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CDC25B P30305 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
SRD5A2 P31213 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
CNR2 P34972 1/20 0.31
HCAR3 P49019 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
SCHEMBL4606049 0.98 TDP1 (0.33) TDP1KMOSMN1; SMN2CDC25BNPSR1
SCHEMBL4605209 0.98 TDP1 (0.33) TDP1KMOSMN1; SMN2CDC25BNPSR1
SCHEMBL4604577 0.98 TDP1 (0.33) TDP1KMOSMN1; SMN2CDC25BNPSR1
SCHEMBL3757915 0.73 CYP3A4 (0.46) TDP1SMN1; SMN2NPSR1KMT2A
SCHEMBL9825741 0.72 LMNA (0.43) TDP1NPSR1KMT2ATSHRGAA
SCHEMBL8407442 0.72 CDC25B (0.46) TDP1SMN1; SMN2CDC25BNPSR1KMT2A
SCHEMBL4605020 0.71 STS (0.51) SMN1; SMN2NPSR1KMT2ATSHRHTT
SCHEMBL11883765 0.70 CDC25B (0.50) TDP1SMN1; SMN2CDC25BKMT2APKM
SCHEMBL306689 0.70 CDC25B (0.50) TDP1SMN1; SMN2CDC25BKMT2APKM
SCHEMBL11367643 0.70 CYP2C9 (0.48) TDP1KMT2ATSHRHSD17B10

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
US-9139710-B2 Aliphatic polyester resin compositions, molded articles of aliphatic polyester resin and method of producing same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2015-09-22 US disclosed
EP-1707598-B1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING TAKEMOTO OIL & FAT CO LTD (JP) 2008-07-09 EP disclosed
US-20070270535-A1 Aliphatic Polyester Resin Compositions, Molded Articles of Aliphatic Polyester Resin and Method of Producing Same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2007-11-22 US disclosed
EP-1707598-A1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING Takemoto Yushi Kabushiki Kaisha (JP) 2006-10-04 EP disclosed