SCHEMBL4701145

SCHEMBL4701145

Cc1cc(-c2ccc3ccc(CC4CCN(C5CCCCC5)C4=O)cc3c2)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
RARB P10826 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CES2 O00748 1/20 0.35
KMT2A Q03164 2/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
RXRB P28702 2/20 0.34
RXRA P19793 1/20 0.33
CNR2 P34972 1/20 0.33
CASR P41180 1/20 0.32

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
SCHEMBL4698707 0.97 HSD11B1 (0.52) HSD11B1RARBALDH1A1MCOLN3CES2
SCHEMBL4697040 0.88 HSD11B1 (0.55) HSD11B1RARBALDH1A1KMT2A
SCHEMBL4698234 0.86 HSD11B1 (0.48) HSD11B1ALDH1A1MCOLN3CASR
SCHEMBL4751912 0.85 HSD11B1 (0.56) HSD11B1RARBALDH1A1KMT2A
SCHEMBL4700534 0.83 HSD11B1 (0.48) HSD11B1ALDH1A1KMT2AMERTK
SCHEMBL4701592 0.80 HSD11B1 (0.49) HSD11B1ALDH1A1KMT2AMERTK
SCHEMBL4697482 0.79 HSD11B1 (0.61) HSD11B1ALDH1A1MCOLN3CES2KMT2A
SCHEMBL4696769 0.78 HSD11B1 (0.60) HSD11B1ALDH1A1MCOLN3KMT2A
SCHEMBL4698725 0.78 HSD11B1 (0.57) HSD11B1ALDH1A1MCOLN3CES2CASR
SCHEMBL14143454 0.77 HSD11B1 (0.61) HSD11B1ALDH1A1MCOLN3CES2KMT2A

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
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP claimed