SCHEMBL8967799

SCHEMBL8967799

CCOP(=O)(CC(C(=O)O)C(=O)O)OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
PPARD Q03181 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6550363 0.88 MAPT (0.42) TSHRPPARDMAPTMAPK1TDP1
SCHEMBL29159494 0.83 TSHR (0.44) TSHRPPARDMAPTMAPK1TP53
SCHEMBL816257 0.83 TSHR (0.44) TSHRPPARDMAPTMAPK1TP53
SCHEMBL21828165 0.81 TSHR (0.43) TSHRPPARDMAPTMAPK1TP53
SCHEMBL21805451 0.78 CHRM1 (0.54) TSHRPPARDMAPTMAPK1TDP1
SCHEMBL14561058 0.78 FOLH1 (0.55) TSHRPPARDMAPTMAPK1TDP1
SCHEMBL4435559 0.78 MAPT (0.41) TSHRPPARDMAPTMAPK1TP53
SCHEMBL12925134 0.77 TSHR (0.39) TSHRPPARDMAPTMAPK1TDP1
SCHEMBL15032899 0.76 TSHR (0.52) TSHRPPARDMAPTMAPK1TP53
SCHEMBL9343304 0.75 MAPT (0.45) TSHRPPARDMAPTMAPK1POLB

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