SCHEMBL29952272

SCHEMBL29952272

CC=CCOc1ccc(B(O)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.36
AKR1C3 P42330 1/20 0.34
CA2 P00918 2/20 0.33
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
FFAR4 Q5NUL3 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TTR P02766 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR1 O14842 1/20 0.31
CA1 P00915 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 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
SCHEMBL29951974 0.83 KDM4E (0.40) ENPP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL29951468 0.81 MTNR1A (0.41) ENPP2KDM4EALDH1A1
SCHEMBL29954924 0.78 ESR1 (0.46) ENPP2CA2LPLLIPGKDM4E
SCHEMBL3659031 0.78 ESR1 (0.46) ENPP2CA2LPLLIPGKDM4E
SCHEMBL2558403 0.76 AKR1C3 (0.37) AKR1C3KDM4EALDH1A1TUBB4ATUBB
SCHEMBL2558400 0.76 AKR1C3 (0.37) AKR1C3KDM4EALDH1A1TUBB4ATUBB
SCHEMBL4814769 0.76 ESR1 (0.42) ENPP2LPLLIPGKDM4ETP53
SCHEMBL29957542 0.76 ESR1 (0.42) ENPP2LPLLIPGKDM4ETP53
SCHEMBL29951181 0.75 CA2 (0.48) ENPP2CA2LPLLIPGKDM4E
SCHEMBL2561666 0.74 KDR (0.45) ENPP2CA2KDM4ETP53ALOX15

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