SCHEMBL3660112

SCHEMBL3660112

CC(C)(O)[C@H]1CCCN(C(=O)c2conc2-c2ccccc2Cl)C1I

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.43
TSHR P16473 2/20 0.42
HCRTR1 O43613 13/20 0.41
HCRTR2 O43614 12/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 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
SCHEMBL3665247 1.00 GPBAR1 (0.43) GPBAR1TSHRHCRTR1HCRTR2LMNA
SCHEMBL3663440 0.89 HCRTR2 (0.38) TSHRHCRTR1HCRTR2LMNAHSD11B1
SCHEMBL3664145 0.89 HCRTR2 (0.38) TSHRHCRTR1HCRTR2LMNAHSD11B1
SCHEMBL3663234 0.82 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL3665517 0.82 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL3665837 0.81 HCRTR2 (0.39) TSHRHCRTR1HCRTR2LMNAALDH1A1
SCHEMBL3665268 0.81 HCRTR1 (0.39) TSHRHCRTR1HCRTR2NPC1CASP3
SCHEMBL3664194 0.81 HCRTR1 (0.39) TSHRHCRTR1HCRTR2NPC1CASP3
SCHEMBL3663297 0.80 HCRTR1 (0.36) TSHRHCRTR1HCRTR2MEN1KMT2A
SCHEMBL3171002 0.80 RAB9A (0.51) GPBAR1TSHRMEN1KMT2ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP claimed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 WO claimed
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP disclosed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 WO disclosed