SCHEMBL11024045

SCHEMBL11024045

CSCC[C@H](NC=O)C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
FPR1 P21462 4/20 0.38
FPR2 P25090 4/20 0.38
TSHR P16473 2/20 0.36
PPID Q08752 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL11130837 0.85 PPID (0.47) CYP2C9TSHRPPIDMETAP2METAP1
SCHEMBL11868370 0.85 PPID (0.47) CYP2C9TSHRPPIDMETAP2METAP1
SCHEMBL12360660 0.83 CYP2C9 (0.49) CYP2C9TSHRALDH1A1L3MBTL1USP2
SCHEMBL22415537 0.83 CYP2C9 (0.49) CYP2C9TSHRALDH1A1L3MBTL1USP2
SCHEMBL11026293 0.79 ADH1B (0.42) TSHRL3MBTL1KDM4EUSP2TDP1
SCHEMBL11028068 0.78 TSHR (0.41) TSHRALDH1A1KDM4EUSP2TDP1
SCHEMBL16557198 0.77 FNTA (0.40) CYP2C9FPR1FPR2TSHRFNTA
SCHEMBL28781190 0.76 ALDH1A1 (0.54) FNTAFNTBALDH1A1L3MBTL1KDM4E
SCHEMBL17951700 0.76 ALDH1A1 (0.40) CYP2C9FPR1FPR2FNTAFNTB
SCHEMBL38595 0.76 ALDH1A1 (0.54) FNTAFNTBALDH1A1L3MBTL1KDM4E

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-0080119-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-AMINO-ACID ESTERS BASF Aktiengesellschaft (DE) 1985-06-19 EP disclosed
EP-0080119-A1 Process for the preparation of N-formyl-alpha-amino-acid esters BASF Aktiengesellschaft (DE) 1983-06-01 EP disclosed