SCHEMBL8967905

SCHEMBL8967905

CCOP(=O)(COC(=O)CC(=O)O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PPARD Q03181 2/20 0.41
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL15438320 0.82 TSHR (0.46) TSHRGAAMGAMSIMGAM2
SCHEMBL17504766 0.80 TSHR (0.46) TSHRPPARDTDP1ALDH1A1MEN1
SCHEMBL15438312 0.78 TSHR (0.43) TSHRPPARDALDH1A1
SCHEMBL9617309 0.78 TSHR (0.43) TSHRGAAMGAMSIMGAM2
SCHEMBL10880520 0.78 TSHR (0.43) TSHRGAAMGAMSIMGAM2
SCHEMBL15438142 0.77 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL15438833 0.76 TSHR (0.44) TSHRGAAMGAMSIMGAM2
SCHEMBL21805454 0.76 DGKA (0.46) TSHRSMN1; SMN2
SCHEMBL15438668 0.76 TSHR (0.45) TSHRGAAMGAMSIMGAM2
SCHEMBL16558619 0.76 TSHR (0.40) TSHRGAAMGAMSIMGAM2

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-5523430-A Protein farnesyl transferase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-04 US disclosed