SCHEMBL6237984

SCHEMBL6237984

CCC(O)c1ccccc1NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
EGFR P00533 1/20 0.39
PABPC1 P11940 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.36
ADRB1 P08588 3/20 0.36

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
SCHEMBL15939773 1.00 LMNA (0.47) LMNATSHRL3MBTL1MAPTTDP1
SCHEMBL12248173 0.82 LMNA (0.45) LMNATSHRL3MBTL1KDM4EPOLB
SCHEMBL30172716 0.80 LMNA (0.61) LMNATSHRL3MBTL1KDM4ERECQL
SCHEMBL5107133 0.80 LMNA (0.61) LMNATSHRL3MBTL1KDM4ERECQL
SCHEMBL5107136 0.80 LMNA (0.61) LMNATSHRL3MBTL1KDM4ERECQL
SCHEMBL5107130 0.80 LMNA (0.61) LMNATSHRL3MBTL1KDM4ERECQL
SCHEMBL16771466 0.79 L3MBTL1 (0.43) TSHRL3MBTL1MAPTTDP1EGFR
SCHEMBL28685725 0.78 TSHR (0.58) LMNATSHRL3MBTL1MAPK1RAB9A
SCHEMBL8811036 0.78 TSHR (0.58) LMNATSHRL3MBTL1MAPK1RAB9A
SCHEMBL23341753 0.78 TSHR (0.55) LMNATSHRL3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527034-A1 A PROCESS FOR THE OPTICAL RESOLUTION OF A PRECURSOR OF SCLAREOLIDE FIRMENICH SA (CH) 2005-05-04 EP claimed
WO-2004013069-A1 A PROCESS FOR THE OPTICAL RESOLUTION OF A PRECURSOR OF SCLAREOLIDE FIRMENICH SA (CH) 2004-02-12 WO claimed
US-5149821-A Process and intermediates for optically active 3-formyltetrahydropyrans PFIZER INC (US) 1992-09-22 US disclosed
US-4277420-A Ephedrine and pseudoephedrine precursors MONSANTO COMPANY (US) 1981-07-07 US disclosed