SCHEMBL29956845

SCHEMBL29956845

CCCCCOc1ccc(C)cc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
THRB P10828 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 2/20 0.43
S1PR3 Q99500 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL29957474 0.98 GAA (0.49) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL29957059 0.98 GAA (0.49) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL29955818 0.98 GAA (0.49) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL3318133 0.95 KDM4E (0.45) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL3317396 0.90 MAPT (0.48) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL9946008 0.85 KDM4E (0.43) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL1490739 0.82 MAPT (0.45) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL29956763 0.82 MAPT (0.45) MAPTALDH1A1GAANPSR1KDM4E
SCHEMBL15331983 0.82 L3MBTL1 (0.41) MAPTALDH1A1NPSR1KDM4EMEN1
SCHEMBL29952280 0.82 S1PR3 (0.42) MAPTALDH1A1THRBMEN1KMT2A

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