SCHEMBL29957780

SCHEMBL29957780

O=C(c1cccc(B(O)O)c1)N1CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.64
ALDH1A1 P00352 5/20 0.59
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 4/20 0.54
MAPK1 P28482 4/20 0.54
TSHR P16473 3/20 0.54
USP2 O75604 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL29952925 0.93 SMN1; SMN2 (0.64) GPR183ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL177485 0.93 HPGD (0.61) GPR183ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL1367131 0.92 GPR183 (0.57) GPR183ALDH1A1TP53SMN1; SMN2MAPK1
SCHEMBL20395747 0.92 HPGD (0.62) GPR183ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL1490523 0.92 HPGD (0.62) GPR183ALDH1A1TP53SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL17983620 0.91 GPR183 (0.56) GPR183ALDH1A1TP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL29664011 0.91 GPR183 (0.56) GPR183ALDH1A1TP53SMN1; SMN2MAPK1
SCHEMBL19893761 0.89 GPR183 (0.55) GPR183ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL8123 0.89 TSHR (0.60) GPR183ALDH1A1TSHRHPGDKDM4E
SCHEMBL13022078 0.89 GPR183 (0.54) GPR183ALDH1A1TP53SMN1; SMN2LMNA

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