SCHEMBL29954130

SCHEMBL29954130

CCc1c(C)cc(C)cc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAPGEF4 Q8WZA2 2/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
KMT2A Q03164 1/20 0.30
CA2 P00918 1/20 0.30
TSHR P16473 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
SCHEMBL327084 0.78 HRH3 (0.41) HRH3KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL19243066 0.78 HPGD (0.40) HRH3ALDH1A1MAPTKMT2A
SCHEMBL2776485 0.73 SELL (0.46) HRH3KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL29954178 0.73 LPL (0.43) LPLLIPGCA2
SCHEMBL30979268 0.73 SELL (0.46) HRH3KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL31366444 0.72 ACHE (0.38) KDM4EALDH1A1LPLLIPGLMNA
SCHEMBL7232450 0.70 ALDH1A1 (0.50) KDM4EALDH1A1LPLLIPGLMNA
SCHEMBL7776329 0.70 ALDH1A1 (0.50) KDM4EALDH1A1LPLLIPGLMNA
SCHEMBL30274968 0.70 ALDH1A1 (0.50) KDM4EALDH1A1LPLLIPGLMNA
SCHEMBL18966864 0.70 KMT2A (0.40) HRH3KDM4EALDH1A1CYP11B1CYP11B2

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