SCHEMBL7425458

SCHEMBL7425458

COc1ccc(CC[C@@](O)(NC(C)=O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
F2RL1 P55085 1/20 0.49
FFAR1 O14842 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
LDHA P00338 1/20 0.43

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
SCHEMBL10535719 0.74 SMN1; SMN2 (0.49) SMN1; SMN2F2RL1FFAR1ALDH1A1MEN1
SCHEMBL1236959 0.73 CALM1 (0.53) SMN1; SMN2F2RL1FFAR1ALDH1A1POLB
SCHEMBL18065719 0.73 NPC1 (0.58) F2RL1ALDH1A1MEN1KMT2AATM
SCHEMBL1237071 0.72 ALOX5 (0.49) F2RL1ALDH1A1
SCHEMBL10644144 0.72 PPARA (0.50) SMN1; SMN2F2RL1FFAR1LDHA
SCHEMBL10778646 0.71 SMN1; SMN2 (0.47) SMN1; SMN2F2RL1ALDH1A1POLBHTT
SCHEMBL8939115 0.71 TAAR1 (0.53) SMN1; SMN2F2RL1TAAR1
SCHEMBL16341200 0.71 ACACB (0.60) SMN1; SMN2F2RL1MEN1KMT2AHTT
SCHEMBL25596188 0.71 F2RL1 (0.47) SMN1; SMN2F2RL1FFAR1LDHA
SCHEMBL18065675 0.71 MEN1 (0.56) F2RL1ALDH1A1MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed