SCHEMBL8932191

SCHEMBL8932191

CCOC(=O)[C@H](Cc1ccc(OC)c(OC)c1)NC=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
FPR2 P25090 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 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
SCHEMBL7812780 0.85 LDHA (0.64) LDHAALDH1A1POLBFPR2
SCHEMBL11796485 0.85 LDHA (0.64) LDHAALDH1A1POLBFPR2
SCHEMBL27675105 0.83 EPHX2 (0.50) LDHALMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL491026 0.79 LDHA (0.71) LDHACA12CA1CA2CA9
SCHEMBL4538019 0.79 HDAC1 (0.45) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL4538023 0.79 HDAC1 (0.45) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL8932192 0.79 CA1 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL3884012 0.78 ACE (0.55) LDHALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL6952367 0.78 MMP8 (0.55) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL7882117 0.78 MMP8 (0.55) ALDH1A1KMT2AMEN1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393908-A Storage stable intermediate NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1995-02-28 US claimed
WO-1994000460-A9 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA 1994-02-17 WO claimed
WO-1994000460-A1 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-01-06 WO claimed
US-5510522-A AMIDATION, IODINATION, METALLIZATION, RADIOFLUORINATION OF DOPA AND DERIVATIVES THEREOF; SHELF STABLE PRECURSOR, HIGH YIELDS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-04-23 US disclosed
US-5393908-A Storage stable intermediate NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1995-02-28 US disclosed
WO-1994000460-A9 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA 1994-02-17 WO disclosed
WO-1994000460-A1 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-01-06 WO disclosed