SCHEMBL7770306

SCHEMBL7770306

CC(C)(C)C(NCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSB P07858 3/20 0.42
SYK P43405 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7765926 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1L3MBTL1SLC6A2
SCHEMBL6946124 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1L3MBTL1SLC6A2
SCHEMBL14768567 0.77 SYK (0.57) CTSBSYKCTSLCTSSPPARA
SCHEMBL6661784 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2ACTSBSYK
SCHEMBL4904600 0.77 SYK (0.57) CTSBSYKCTSLCTSSPPARA
SCHEMBL2747511 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1L3MBTL1SLC6A2
SCHEMBL25076347 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1L3MBTL1SLC6A2
SCHEMBL4784830 0.76 ELANE (0.49) ALDH1A1SMN1; SMN2L3MBTL1CTSBSYK
SCHEMBL19185177 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPK1L3MBTL1SLC6A2
SCHEMBL738204 0.75 SYK (0.54) SMN1; SMN2CTSBSYKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572237-B Preparation method of L-alpha-neopentyl glycine 苏州爱玛特生物科技有限公司 2023-08-22 CN disclosed
US-6333176-B1 ENZYMATIC CLEAVAGE OF C-TERMINAL AMINO GROUP FROM PEPTIDE AMIDE, DEAMINATION WITH PEPTIDE AMIDASE, INCUBATION AND INOCULATION DEGUSSA AKTIENGESELLSCHAFT (DE) 2001-12-25 US disclosed
EP-0759066-B1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA (DE) 2001-06-27 EP disclosed
US-5985632-A Peptide amidase from xanthomonas DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
EP-0759066-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF Degussa Aktiengesellschaft (DE) 1997-02-26 EP disclosed
WO-1995030740-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1995-11-16 WO disclosed