SCHEMBL28833338

SCHEMBL28833338

COCOc1ccc(C#N)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
XDH P47989 1/20 0.34
AR P10275 3/20 0.33
TDP2 O95551 2/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
EGFR P00533 2/20 0.31
ESR2 Q92731 1/20 0.31
SLC6A4 P31645 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ICMT O60725 2/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL1303775 0.90 RARG (0.33) TRPV4ARTDP2ICMT
SCHEMBL29447080 0.90 TRPV4 (0.36) TRPV4XDHARTDP2USP2
SCHEMBL22323989 0.90 TRPV4 (0.36) TRPV4XDHARTDP2USP2
SCHEMBL30526793 0.86 TRPV4 (0.47) TRPV4TDP2USP2MAPTESR2
SCHEMBL1303773 0.86 TRPV4 (0.30) TRPV4ESR2
SCHEMBL1303766 0.85 AR (0.42) ARUSP2MAPTEGFRSLC6A4
SCHEMBL30083309 0.85 AR (0.42) ARUSP2MAPTEGFRSLC6A4
SCHEMBL28833252 0.83 USP2 (0.30) USP2MAPT
SCHEMBL28691150 0.83 TRPV4 (0.33) TRPV4
SCHEMBL22320285 0.81 ACHE (0.33) USP2MAPTEGFR

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
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