SCHEMBL24725537

SCHEMBL24725537

C[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
GJB2 P29033 2/20 0.47
PDE4D Q08499 1/20 0.46
HTR1A P08908 1/20 0.45
SSTR1 P30872 2/20 0.43
SSTR2 P30874 2/20 0.43
SSTR4 P31391 2/20 0.43
SSTR3 P32745 2/20 0.43
SSTR5 P35346 2/20 0.43
TACR2 P21452 3/20 0.42
NT5E P21589 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN1 P18031 3/20 0.40
CDC25B P30305 2/20 0.40
PTPN2 P17706 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL21183340 1.00 BCHE (0.50) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL18542288 1.00 BCHE (0.50) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL14050753 1.00 BCHE (0.50) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL20010819 0.91 PDE4D (0.52) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL20725166 0.86 PDE4D (0.48) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL20725200 0.85 PDE4D (0.50) BCHEACHEPDE4DTACR2
SCHEMBL7565301 0.85 SSTR1 (0.52) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL19400295 0.85 GJB2 (0.50) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL24256145 0.85 GJB2 (0.50) BCHEACHEGJB2PDE4DHTR1A
SCHEMBL6255576 0.85 GJB2 (0.50) BCHEACHEGJB2PDE4DHTR1A

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-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed