SCHEMBL27314713

SCHEMBL27314713

CCOC(CCl)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
PTGS2 P35354 1/20 0.31
CA14 Q9ULX7 1/20 0.30
PPARA Q07869 2/20 0.30

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
SCHEMBL27511195 0.84 ALDH1A1 (0.40) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL12072072 0.82 CA1 (0.42) MGAMGAASIMGAM2CA1
SCHEMBL7842367 0.79
SCHEMBL5793752 0.78 CA1 (0.44) MGAMGAASIMGAM2CA1
SCHEMBL28847237 0.77
SCHEMBL10012251 0.77 MGAM (0.39) MGAMGAASIMGAM2CA1
SCHEMBL6422713 0.77 TSHR (0.37) MGAMGAASIMGAM2CA1
SCHEMBL28838947 0.75 CA1 (0.37) MGAMGAASIMGAM2CA1
SCHEMBL28838949 0.75 CA1 (0.37) MGAMGAASIMGAM2CA1
SCHEMBL27769374 0.75 GAA (0.48) MGAMGAASIMGAM2CA1

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-101296897-A PPAR-modulating biaromatic compounds GALDERMA RES & DEV (FR) 2008-10-29 CN disclosed
CN-1036770-A Cephalosporins derivatives and preparation method thereof HOECHST AG (DE) 1989-11-01 CN disclosed