SCHEMBL29954844

SCHEMBL29954844

C=CC(C)Oc1ccc(B(O)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CA2 P00918 3/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ENPP2 Q13822 3/20 0.31
TTR P02766 2/20 0.31
CA1 P00915 2/20 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
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 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
SCHEMBL1890521 0.82 TSHR (0.39) TSHRHTR2AHTR2CHTR2BCA2
SCHEMBL29636287 0.82 TSHR (0.39) TSHRHTR2AHTR2CHTR2BCA2
SCHEMBL29427148 0.77 ALDH1A1 (0.38) TSHRHTR2AHTR2CHTR2BCA2
SCHEMBL15968820 0.77 ALDH1A1 (0.38) TSHRHTR2AHTR2CHTR2BCA2
SCHEMBL29956860 0.76 ACHE (0.32) HTR2BCA2LPLLIPGTUBB4A
SCHEMBL29957805 0.76 PPARA (0.36) TSHRHTR2AHTR2CHTR2BCA2
SCHEMBL29957060 0.75 ENPP2 (0.48) TSHRCA2LPLLIPGENPP2
SCHEMBL29957988 0.74 ENPP2 (0.56) CA2LPLLIPGENPP2CA1
SCHEMBL29951974 0.73 KDM4E (0.40) TSHRENPP2
SCHEMBL23743 0.72 ENPP2 (0.48) TSHRCA2LPLLIPGENPP2

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