SCHEMBL4606012

SCHEMBL4606012

CCCC(C)COC(=O)c1ccc(C(=O)OCC(C)CCC)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.35
CA2 P00918 2/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL4605789 0.98 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1MAPTCYP3A4
SCHEMBL4605746 0.90 MAPT (0.55) ALDH1A1TSHRMAPK1MAPTCYP3A4
SCHEMBL4606942 0.88 MAPT (0.55) ALDH1A1TSHRMAPK1MAPTCYP3A4
SCHEMBL4605104 0.88 MAPT (0.55) ALDH1A1TSHRMAPK1MAPTCYP3A4
SCHEMBL4603400 0.87 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1MAPTCYP3A4
SCHEMBL4603786 0.87 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1MAPTCYP3A4
SCHEMBL4605207 0.86 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MAPTPTPN1
SCHEMBL5529336 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1MAPTCA2
SCHEMBL4602782 0.83 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MAPTPTPN1
Cesium SCHEMBL4605659 0.83 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MAPTPTPN1

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