SCHEMBL4698707

SCHEMBL4698707

Cc1cc(-c2ccc3cc(CC4CCN(C5CCCCC5)C4=O)ccc3c2)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
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 1/20 0.35
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
RXRB P28702 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
RXRA P19793 1/20 0.34
CNR2 P34972 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL4701145 0.97 HSD11B1 (0.51) HSD11B1RARBALDH1A1MCOLN3CES2
SCHEMBL4751912 0.88 HSD11B1 (0.56) HSD11B1RARBALDH1A1KMT2AKDM2B
SCHEMBL4698234 0.87 HSD11B1 (0.48) HSD11B1ALDH1A1MCOLN3
SCHEMBL4697040 0.85 HSD11B1 (0.55) HSD11B1RARBALDH1A1KMT2AKDM2B
SCHEMBL4701592 0.83 HSD11B1 (0.49) HSD11B1ALDH1A1KMT2AMERTKKDM2B
SCHEMBL14143454 0.80 HSD11B1 (0.61) HSD11B1ALDH1A1MCOLN3CES2KMT2A
SCHEMBL4700534 0.80 HSD11B1 (0.48) HSD11B1ALDH1A1KMT2AMERTKKDM2B
SCHEMBL4696657 0.78 HSD11B1 (0.56) HSD11B1ALDH1A1MCOLN3CES2KMT2A
SCHEMBL4697530 0.78 HSD11B1 (0.61) HSD11B1ALDH1A1MCOLN3KMT2AKDM2B
SCHEMBL4510178 0.78 HSD11B1 (0.71) HSD11B1ALDH1A1MCOLN3

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