SCHEMBL13239816

SCHEMBL13239816

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.59
F13A1 P00488 9/20 0.59
TGM1 P22735 6/20 0.59
TGM3 Q08188 1/20 0.59
STS P08842 2/20 0.54
MAPT P10636 1/20 0.52
FAAH O00519 2/20 0.50
POLB P06746 1/20 0.49
GPR119 Q8TDV5 1/20 0.49

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
SCHEMBL3248533 0.95 TGM2 (0.55) TGM2F13A1TGM1TGM3STS
SCHEMBL28919020 0.86 STS (0.63) TGM2F13A1TGM1TGM3STS
SCHEMBL5262401 0.85 TGM2 (0.51) TGM2F13A1TGM1TGM3GPR119
SCHEMBL1180627 0.85 TGM2 (0.60) TGM2F13A1TGM1TGM3POLB
SCHEMBL29060789 0.84 MAPT (0.73) TGM2F13A1TGM1TGM3STS
SCHEMBL2252120 0.83 TGM2 (0.63) TGM2F13A1TGM1GPR119
SCHEMBL4266289 0.83 CNR1 (0.59) TGM2F13A1TGM1TGM3MAPT
SCHEMBL20100253 0.83 TGM2 (0.49) TGM2F13A1TGM1TGM3GPR119
SCHEMBL5259618 0.83 TGM2 (0.52) TGM2F13A1TGM1TGM3STS
SCHEMBL18711516 0.83 ALDH1A1 (0.62) MAPTFAAH

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
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed