SCHEMBL23905943

SCHEMBL23905943

CC(C)c1c(OCc2ccncc2)ccc2c1OCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.41
MAOB P27338 10/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
PRKDC P78527 1/20 0.36
CYP27B1 O15528 1/20 0.35
CYP24A1 Q07973 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL23882644 0.85 MAOB (0.47) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23905175 0.85 MRGPRX4 (0.47) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23906313 0.85 MAOB (0.46) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL32675527 0.84 MAOB (0.42) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23882634 0.84 MAOB (0.42) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23906005 0.84 RXRA (0.46) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23905999 0.83 GRM5 (0.42) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23905984 0.83 LTB4R (0.47) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23905925 0.81 LTB4R (0.59) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23905955 0.78 GRM5 (0.60) GRM5MAOBNPC1ALDH1A1HPGD

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
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed