SCHEMBL29950781

SCHEMBL29950781

CCCCCOc1ccc(B(O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 3/20 0.45
S1PR2 O95136 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
LPL P06858 6/20 0.44
LIPG Q9Y5X9 6/20 0.44
TRPV1 Q8NER1 1/20 0.42
MGLL Q99685 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCG P05129 1/20 0.40

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
SCHEMBL29737220 0.98 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL7789283 0.98 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL8220595 0.98 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL7514162 0.98 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL6657948 0.98 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL29953148 0.95 THRA (0.44) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL177383 0.95 THRA (0.44) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL177284 0.90 MAPT (0.40) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL16362051 0.88 RARB (0.44) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL8454750 0.88 THRA (0.44) THRATHRBS1PR1S1PR3S1PR2

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