SCHEMBL29952925

SCHEMBL29952925

O=C(c1cccc(B(O)O)c1)N1CCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
GPR183 P32249 1/20 0.57
HPGD P15428 5/20 0.57
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL177485 0.97 HPGD (0.61) SMN1; SMN2GPR183HPGDRXFP1ALDH1A1
SCHEMBL1490523 0.95 HPGD (0.62) SMN1; SMN2GPR183HPGDALDH1A1TP53
SCHEMBL20395747 0.95 HPGD (0.62) SMN1; SMN2GPR183HPGDALDH1A1TP53
SCHEMBL29957780 0.93 GPR183 (0.64) SMN1; SMN2GPR183HPGDRXFP1ALDH1A1
SCHEMBL8123 0.86 TSHR (0.60) GPR183HPGDALDH1A1MEN1KMT2A
SCHEMBL12538130 0.86 GPR183 (0.54) SMN1; SMN2GPR183HPGDALDH1A1TP53
SCHEMBL1367131 0.86 GPR183 (0.57) SMN1; SMN2GPR183HPGDALDH1A1TP53
SCHEMBL13022078 0.86 GPR183 (0.54) SMN1; SMN2GPR183HPGDALDH1A1TP53
Hydrochloric Acid SCHEMBL17983620 0.84 GPR183 (0.56) SMN1; SMN2GPR183HPGDALDH1A1TP53
Hydrochloric Acid SCHEMBL29664011 0.84 GPR183 (0.56) SMN1; SMN2GPR183HPGDALDH1A1TP53

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