SCHEMBL20779478

SCHEMBL20779478

CCCCC(CC)C(C)(O)C(O)CC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
FDPS P14324 2/20 0.40
CA2 P00918 7/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 4/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
DNM1 Q05193 1/20 0.30

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
SCHEMBL20779495 0.88 ALDH1A1 (0.42) TSHRFDPSCA2MAPK1CA1
SCHEMBL20779323 0.80 FDPS (0.38) TSHRFDPSCA2MAPK1CA1
SCHEMBL11830840 0.79 ALDH1A1 (0.45) TSHRFDPSCA2MAPK1CA1
SCHEMBL10242782 0.78 FDPS (0.45) TSHRFDPSCA2MAPK1CA1
SCHEMBL20779256 0.77 FDPS (0.36) TSHRFDPSCA2MAPK1CA1
SCHEMBL28367268 0.75 FDPS (0.47) TSHRFDPSCA2MAPK1CA1
SCHEMBL11496837 0.74 CA2 (0.42) TSHRFDPSCA2MAPK1CA1
SCHEMBL20779314 0.74 TSHR (0.38) TSHRFDPS
SCHEMBL8634496 0.74 TSHR (0.61) TSHRALDH1A1
SCHEMBL5137741 0.73 FDPS (0.45) TSHRFDPSCA2MAPK1CA1

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-2019046271-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed