SCHEMBL5372203

SCHEMBL5372203

CC(C)C[C@H](C(=O)N1CCNC[C@@]1(C)c1ccc2c(c1)OC(F)(F)O2)[C@H](O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.35
PDE2A O00408 3/20 0.34
CFTR P13569 6/20 0.33
HTR2A P28223 1/20 0.33
PDE4D Q08499 1/20 0.33
SCN5A Q14524 1/20 0.33
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
FAAH O00519 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
P2RX3 P56373 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5379472 0.91 MMP1 (0.39) GPR183PDE2ACFTRHTR2APDE4D
SCHEMBL5419543 0.88 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL5489951 0.83 TAS1R3 (0.36) P2RX3
SCHEMBL5384481 0.82 TAS1R3 (0.34)
SCHEMBL5316333 0.81 ADAM17 (0.38) HTR2AKDM4EALDH1A1RECQL
SCHEMBL5317625 0.81 MMP1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL5324832 0.80 HPGD (0.34) ALDH1A1
SCHEMBL5322497 0.79 SLC6A2 (0.36) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5318347 0.79 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL5341776 0.78 MMP1 (0.40) KDM4EALDH1A1

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
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed