SCHEMBL27647405

SCHEMBL27647405

CCCOC(=O)c1cc(C(=O)OCCC)cc(S(=O)(=O)O)c1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ESR1 P03372 9/20 0.49
ALDH1A1 P00352 2/20 0.49
CHRM1 P11229 1/20 0.49
TSHR P16473 1/20 0.49
SLC6A2 P23975 1/20 0.49
KDR P35968 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
STS P08842 1/20 0.48
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
AKR1C4 P17516 1/20 0.43

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
SCHEMBL28160937 0.98 LMNA (0.51) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL27667924 0.97 LMNA (0.50) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL28761654 0.97 LMNA (0.50) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL27647400 0.97 LMNA (0.50) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL27667914 0.97 LMNA (0.50) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL6296136 0.97 LMNA (0.50) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL6858648 0.97 LMNA (0.50) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL28312149 0.92 LCK (0.61) LMNAESR1ALDH1A1CHRM1TSHR
SCHEMBL7945440 0.89 ESR1 (0.59) LMNAESR1TSHRSTSAKR1C4
SCHEMBL6850476 0.87 ESR1 (0.58) LMNAESR1TSHRSTSAKR1C4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480327-C Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2009-04-22 CN disclosed
CN-1910236-A Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2007-02-07 CN disclosed