SCHEMBL23905925

SCHEMBL23905925

CCCc1c(OCc2ccncc2)ccc2c1OCCC2=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.59
LTB4R2 Q9NPC1 12/20 0.59
GRM5 P41594 3/20 0.41
MAOB P27338 5/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSD P07339 1/20 0.37

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
SCHEMBL23905984 0.91 LTB4R (0.47) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL23882677 0.86 LTB4R (0.58) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL30251093 0.86 LTB4R (0.58) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL23905175 0.84 MRGPRX4 (0.47) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL23905999 0.82 GRM5 (0.42) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL23906313 0.81 MAOB (0.46) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL23905943 0.81 GRM5 (0.41) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL9122715 0.76 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL23882744 0.76 MAOB (0.48) LTB4RLTB4R2GRM5MAOBNPC1
SCHEMBL23905958 0.76 GRM5 (0.47) LTB4RLTB4R2GRM5MAOBNPC1

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