SCHEMBL29956300

SCHEMBL29956300

COc1ccc(B(O)O)cc1COC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.46
ENPP2 Q13822 3/20 0.39
DRD4 P21917 4/20 0.36
SIGMAR1 Q99720 4/20 0.36
IDO1 P14902 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
RECQL P46063 1/20 0.34
PDE4B Q07343 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL29953365 0.96 QRFPR (0.47) QRFPRENPP2DRD4SIGMAR1IDO1
SCHEMBL29953128 0.88 PDE4D (0.41) QRFPRENPP2PDE4B
SCHEMBL1024456 0.80 ENPP2 (0.46) ENPP2IDO1CA1CA2HPGD
SCHEMBL26108979 0.78 KDM4E (0.36) QRFPRENPP2CA1CA2
SCHEMBL29953633 0.78 NAAA (0.38) IDO1
SCHEMBL29956506 0.78 ALDH1A1 (0.58) SIGMAR1MEN1KMT2AALDH1A1POLB
SCHEMBL29951416 0.77 DRD4 (0.47) QRFPRENPP2DRD4SIGMAR1TMEM97
SCHEMBL14201717 0.77 MEN1 (0.62) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL18529899 0.75 PDE4A (0.46) ENPP2IDO1CA1CA2PDE4B
SCHEMBL21396 0.75 ENPP2 (0.44) ENPP2CA1CA2MEN1KMT2A

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