SCHEMBL5711219

SCHEMBL5711219

CC(C)[C@H](NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
TSHR P16473 2/20 0.42
KMT2A Q03164 4/20 0.41
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.39
USP30 Q70CQ3 2/20 0.37
PREP P48147 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SPR P35270 3/20 0.34
KDM4D Q6B0I6 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5711428 0.81 ACE (0.38) HSD11B1TSHRKMT2AMEN1PREP
SCHEMBL7417378 0.78 TSHR (0.48) HSD11B1TSHRKMT2AALOX15MEN1
SCHEMBL7417381 0.78 TSHR (0.48) HSD11B1TSHRKMT2AALOX15MEN1
SCHEMBL29133796 0.78 HSD11B1 (0.54) HSD11B1KMT2AMEN1USP30SPR
SCHEMBL24684941 0.76 HSD11B1 (0.56) HSD11B1KMT2AMEN1USP30SPR
SCHEMBL7355350 0.75 TSHR (0.44) TSHRKMT2AALOX15MEN1PREP
SCHEMBL26666679 0.75 HSD11B1 (0.54) HSD11B1USP30SPRKDM4D
SCHEMBL3929534 0.75 HSD11B1 (0.55) HSD11B1USP30ALDH1A1
SCHEMBL12938720 0.74 HSD11B1 (0.47) HSD11B1TSHRKMT2AMEN1USP30
SCHEMBL13738053 0.72 HSD11B1 (0.62) HSD11B1KMT2AMEN1USP30SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed