SCHEMBL29543136

SCHEMBL29543136

CCCCOC(=O)N1C[C@H](C)N[C@@H](C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GBA2 Q9HCG7 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
BCHE P06276 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
NAAA Q02083 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34

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
SCHEMBL3587332 1.00 POLB (0.51) POLBLMNASMN1; SMN2GBA2ALDH1A1
SCHEMBL20912047 0.84 POLB (0.56) POLBLMNASMN1; SMN2GBA2ALDH1A1
SCHEMBL11538373 0.84 GAA (0.44) POLBSMN1; SMN2ALDH1A1ATMTSHR
SCHEMBL11538376 0.84 GAA (0.44) POLBSMN1; SMN2ALDH1A1ATMTSHR
SCHEMBL15244126 0.83 SMN1; SMN2 (0.49) POLBLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL1669232 0.83 POLB (0.51) POLBLMNASMN1; SMN2GBA2ALDH1A1
SCHEMBL29409415 0.83 POLB (0.51) POLBLMNASMN1; SMN2GBA2ALDH1A1
SCHEMBL27464999 0.83 POLB (0.51) POLBLMNASMN1; SMN2GBA2ALDH1A1
SCHEMBL16111541 0.82 LMNA (0.50) POLBLMNASMN1; SMN2GBA2ALDH1A1
SCHEMBL4968757 0.81 LMNA (0.53) POLBLMNASMN1; SMN2GBA2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
WO-2022060583-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2022-03-24 WO disclosed