SCHEMBL23905906

SCHEMBL23905906

Cc1c(OCc2ccc(F)cc2)ccc2c1OCCC2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.57
GRM5 P41594 6/20 0.57
MRGPRX4 Q96LA9 1/20 0.47
HPD P32754 1/20 0.47
MAOA P21397 2/20 0.44
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL23905974 0.88 MAOB (0.57) MAOBGRM5MRGPRX4HPDMAOA
SCHEMBL12316589 0.88 MRGPRX4 (0.57) MAOBGRM5MRGPRX4MAOANPC1
SCHEMBL23905977 0.86 MAOB (0.61) MAOBGRM5MRGPRX4MAOANPC1
SCHEMBL23905175 0.85 MRGPRX4 (0.47) MAOBGRM5MRGPRX4NPC1RAB9A
SCHEMBL23905919 0.85 MAOB (0.59) MAOBGRM5MRGPRX4MAOANPC1
SCHEMBL23906010 0.82 MRGPRX4 (0.49) MAOBGRM5MRGPRX4MAOANPC1
SCHEMBL23905186 0.81 MAOB (0.55) MAOBGRM5HPDMAOANPC1
SCHEMBL12316573 0.80 LTB4R (0.47) MAOBGRM5MRGPRX4MEN1KMT2A
SCHEMBL20554658 0.78 MAOB (0.55) MAOBGRM5MRGPRX4MAOANPC1
SCHEMBL30132594 0.78 MAOB (0.55) MAOBGRM5MRGPRX4MAOANPC1

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