SCHEMBL9065166

SCHEMBL9065166

C=CC(Cl)CC(C(=O)OC)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MME P08473 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TSHR P16473 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
SCHEMBL9517596 0.76 MME (0.33) MEN1KMT2AMMESMN1; SMN2TAS1R3
SCHEMBL11652425 0.75 SMN1; SMN2 (0.46) KMT2AMMECA1CA2SMN1; SMN2
SCHEMBL9065165 0.72 TSHR (0.36) MEN1KMT2ASMN1; SMN2TAS1R3TAS1R1
SCHEMBL3687345 0.72 SMN1; SMN2 (0.39) KMT2AMMECA1CA2SMN1; SMN2
SCHEMBL28306501 0.72
SCHEMBL452544 0.70 ALDH1A1 (0.41) MEN1KMT2AMMECA1CA2
SCHEMBL26295440 0.69 ALDH1A1 (0.38) MEN1KMT2AMMECA1CA2
SCHEMBL1059738 0.69 MME (0.56) MMESMN1; SMN2TAS1R3TAS1R1
SCHEMBL28391905 0.68 CA1 (0.32) CA1CA2
SCHEMBL9180783 0.67 MGAM (0.36) TSHR

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-5569780-A Dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
US-5463111-A Process for preparing dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0507930-B1 MEASUREMENT OF COLOR REACTIONS BY MONITORING A CHANGE OF FLUORESCENCE BAXTER DIAGNOSTICS INC (US) 1995-06-21 EP disclosed
US-5173434-A Sandwiching a solution containing substance to be measured and chromogenic agent between a light source and an isolated fluorophore embedded in an inert light transmissive matrix and detecting change in flourophore emission BAXTER DIAGNOSTICS INC. (US) 1992-12-22 US disclosed