SCHEMBL7429232

SCHEMBL7429232

CC(C)COC(=O)[C@@H](C)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 6/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
EGLN1 Q9GZT9 2/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ECE1 P42892 1/20 0.32

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
SCHEMBL6901749 0.82 EGLN1 (0.47) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL7432682 0.81 CA14 (0.45) TSHRALDH1A1MAPTLMNAPTGS2
SCHEMBL7429510 0.81 CA14 (0.45) TSHRALDH1A1MAPTLMNAPTGS2
SCHEMBL10771721 0.79 SMN1; SMN2 (0.43) TSHRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL19174359 0.78 TSHR (0.41) TSHRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL7431053 0.77 CYP2D6 (0.36) TSHRALDH1A1MAPTTDP1CYP2D6
SCHEMBL2139570 0.74 CA12 (0.37) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL6901600 0.74 CA12 (0.37) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL18726371 0.74 TSHR (0.45) TSHRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL807266 0.74 TSHR (0.45) TSHRALDH1A1MAPTTDP1SMN1; SMN2

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
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed