SCHEMBL29956630

SCHEMBL29956630

Cc1ccc(OCC2CCOCC2)c(B(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
SYK P43405 1/20 0.40
PTGER1 P34995 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 1/20 0.38
DCPS Q96C86 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 2/20 0.38
GRM4 Q14833 1/20 0.38
SCN9A Q15858 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL29953902 0.87 PTGDR2 (0.41) XDHNPC1RAB9AHPGDLMNA
SCHEMBL29954206 0.86 PTGDR2 (0.43) XDHNPC1RAB9AHPGDLMNA
SCHEMBL13722614 0.85 HTR2A (0.45) XDHDHFRDCPSBRD4GRM4
SCHEMBL29953556 0.81 LIPE (0.47) XDHDHFRDCPSGLABRD4
SCHEMBL20870452 0.81 RORC (0.49) XDHSYKPTGER1NPC1RAB9A
SCHEMBL10196592 0.80 ACHE (0.49) XDHSYKNPC1RAB9AKDM4E
SCHEMBL29953399 0.78 RAB9A (0.50) PTGER1NPC1RAB9AKDM4EMEN1
SCHEMBL17708411 0.78 XDH (0.57) XDHSYK
SCHEMBL29955998 0.77 RAB9A (0.46) PTGER1NPC1RAB9AKDM4EMEN1
SCHEMBL20206745 0.77 GRM2 (0.47) SYKPTGER1DHFRDCPSBRD4

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed