SCHEMBL23693530

SCHEMBL23693530

O=C(O)c1ccc2oc3cc(Br)ccc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 8/20 0.53
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
PTGER1 P34995 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGDR Q13258 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PIM1 P11309 1/20 0.45
TSHR P16473 1/20 0.44
PTGER4 P35408 1/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
AKR1B1 P15121 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL23693577 0.94 TTR (0.56) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL29886929 0.94 TTR (0.56) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL8954362 0.92 TTR (0.57) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL11768568 0.88 TTR (0.65) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL71110 0.84 TTR (0.68) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL4510869 0.83 TTR (0.70) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL23693559 0.82 TSHR (0.49) ALDH1A1HPGDKDM4EMEN1TP53
SCHEMBL27147943 0.81 TTR (0.53) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL69226 0.80 TTR (0.68) TTRALDH1A1HPGDKDM4EMEN1
SCHEMBL3771900 0.80 PIM1 (0.48) ALDH1A1HPGDKDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981251-B Dibenzofuran derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-11-21 CN disclosed
CN-114981251-A Diphenyl furan derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-30 CN disclosed
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed