SCHEMBL29957060

SCHEMBL29957060

C=CC(C)Oc1ccc(B(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.48
CA2 P00918 4/20 0.48
CA1 P00915 3/20 0.48
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL29957988 0.81 ENPP2 (0.56) ENPP2CA2CA1LPLLIPG
SCHEMBL10358966 0.79 ESR2 (0.41) ALDH1A3
SCHEMBL9279 0.78 CA2 (0.58) ENPP2CA2CA1LPLLIPG
Water SCHEMBL29957389 0.76 CA2 (0.56) ENPP2CA2CA1LPLLIPG
SCHEMBL1071990 0.76 CA1 (0.48) CA2CA1KDM4ETSHR
SCHEMBL29954844 0.75 TSHR (0.35) ENPP2CA2CA1LPLLIPG
SCHEMBL10347632 0.75 SLC6A4 (0.36) CA2CA1ALDH1A3
SCHEMBL27570725 0.74 PPARG (0.41) KDM4ETSHR
SCHEMBL9403956 0.74 ESR2 (0.48)
SCHEMBL11353391 0.74 KDM4E (0.39) KDM4ETSHR

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