SCHEMBL6949050

SCHEMBL6949050

O=C(O)C[C@H](NCc1ccccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
PTPRA P18433 1/20 0.50
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL6949056 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL27921610 0.98 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL27917108 0.98 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL8484330 0.88 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL28030840 0.86 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL28030272 0.86 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL7437113 0.84 TSHR (0.59) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL19214788 0.82 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1POLBLMNA
Hydrochloric Acid SCHEMBL18989464 0.79 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1POLBLMNA
SCHEMBL31109684 0.79 TLR2 (0.47) SMN1; SMN2RAB9ANPC1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772771-B2 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2003-12-17 EP disclosed
EP-0772771-B1 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2000-03-15 EP disclosed
EP-0959352-A1 Determining biodegradability of aspartic acid derivatives, degradable chelants, uses and compositions thereof THE DOW CHEMICAL COMPANY (US) 1999-11-24 EP disclosed
EP-0772771-A1 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1997-05-14 EP disclosed
WO-1996003644-A1 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF THE DOW CHEMICAL COMPANY (US) 1996-02-08 WO disclosed