SCHEMBL8000216

SCHEMBL8000216

CCOC(=O)CCN1CCSCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
KAT2B Q92831 1/20 0.41
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL674463 0.87 LMNA (0.49) LMNATSHRPOLBALDH1A1MAPT
SCHEMBL8957048 0.87 LMNA (0.49) LMNATSHRPOLBALDH1A1MAPT
SCHEMBL29700358 0.87 LMNA (0.49) LMNATSHRPOLBALDH1A1MAPT
SCHEMBL3398661 0.83 LMNA (0.46) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL8735577 0.83 ALDH1A1 (0.50) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL23152723 0.82 PAOX (0.41) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL18164971 0.81 LMNA (0.45) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL66203 0.81 SMN1; SMN2 (0.56) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL12156674 0.81 TSHR (0.45) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL10256974 0.81 ALDH1A1 (0.53) LMNATSHRPOLBALDH1A1KDM4E

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-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed