SCHEMBL29953822

SCHEMBL29953822

CCC(C)Oc1ccccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.52
LIPE Q05469 1/20 0.47
MCHR1 Q99705 2/20 0.43
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 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
SCHEMBL31490284 0.82 MCHR1 (0.51) MCHR1MTNR1AMTNR1BMAPTMEN1
SCHEMBL29957437 0.80 ENPP2 (0.59) ENPP2LIPEMCHR1ORAI1ORAI2
SCHEMBL522469 0.80 ENPP2 (0.59) ENPP2LIPEMCHR1ORAI1ORAI2
SCHEMBL3992853 0.80 ENPP2 (0.55) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29957287 0.80 MCHR1 (0.36) MCHR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL4192107 0.79 ENPP2 (0.48) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29957865 0.77 HDAC1 (0.36) MCHR1KDM4EMEN1KMT2A
SCHEMBL3170714 0.77 TSHR (0.48) MCHR1MTNR1AMTNR1BKDM4EMAPT
SCHEMBL2558821 0.75 LIPE (0.53) ENPP2LIPEMCHR1ORAI1ORAI2
SCHEMBL13534463 0.75 MCHR1 (0.46) MCHR1KDM4EL3MBTL1HTTMEN1

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