SCHEMBL24580573

SCHEMBL24580573

COC(=O)c1cc(OC)c2c(c1)OC(C)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.48
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 1/20 0.39
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2796317 0.79 PLK1 (0.74) PLK1MAPTKMT2AHSD17B10TDP1
SCHEMBL1464754 0.79 PLK1 (0.57) PLK1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL642237 0.78 ABCB1 (0.46) MAPTKMT2AHSD17B10TDP1ALDH1A1
SCHEMBL18114479 0.76 RAB9A (0.49) MAPTKMT2ATSHRHSD17B10ALOX15
SCHEMBL24580175 0.75 CYP3A4 (0.43) KMT2AALDH1A1CYP3A4MEN1SMN1; SMN2
SCHEMBL24580297 0.73 MAOA (0.33) PLK1MAPTTSHRTDP1ALDH1A1
SCHEMBL24580449 0.70 ALDH1A1 (0.32) ALDH1A1CYP3A4GAASMN1; SMN2
SCHEMBL12538439 0.70 PLK1 (0.43) PLK1MAPTKMT2ATSHRTDP1
SCHEMBL13998649 0.69 ADRA1D (0.50) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL643597 0.68 KDM4E (0.49) MAPTKMT2AHSD17B10ALOX15TDP1

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
WO-2022140528-A1 DEUTERATED COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS GENZYME CORPORATION (US) 2022-06-30 WO disclosed