SCHEMBL9067010

SCHEMBL9067010

O=C(O)c1ccc(C(=O)OOCCO)c(OCCO)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
TSHR P16473 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
TPMT P51580 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL734285 0.85 PTPN11 (0.50) PTPN11GAAPOLBCASP6TSHR
SCHEMBL28243904 0.78 HTT (0.42) PTPN11POLBCASP6RARARARB
SCHEMBL11647099 0.77 ALDH1A1 (0.55) PTPN11POLBCASP6TSHRRARA
SCHEMBL11032964 0.76 TSHR (0.46) GAATSHRCA12CA1CA2
SCHEMBL28473308 0.76 POLB (0.38) PTPN11POLBCASP6TSHRRARA
SCHEMBL8398812 0.75 KDM4E (0.53) GAAPOLBTSHRCA12CA1
SCHEMBL25375627 0.74 EP300 (0.45) PTPN11GAAPOLBCASP6TSHR
SCHEMBL31401228 0.74 TSHR (0.51) PTPN11POLBCASP6TSHRRARB
SCHEMBL30622549 0.73 TSHR (0.71) POLBCASP6TSHRCA12CA1
SCHEMBL617974 0.73 TSHR (0.71) POLBCASP6TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565270-A SOLVENT-FREE BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed