SCHEMBL8472008

SCHEMBL8472008

CCOC(=O)C(=CNCCc1ccccc1)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DHODH Q02127 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
STAT1 P42224 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL4659572 0.85 MAPT (0.40) MAPTGAATDP1MEN1KMT2A
SCHEMBL5262223 0.84 CYP2D6 (0.40) MAPTGAATDP1MEN1KMT2A
SCHEMBL5262226 0.84 CYP2D6 (0.40) MAPTGAATDP1MEN1KMT2A
SCHEMBL29281063 0.83 CYP2D6 (0.43) MAPTGAATDP1MEN1KMT2A
SCHEMBL9562413 0.82 DHODH (0.57) MAPTGAATDP1MEN1KMT2A
SCHEMBL30542821 0.82 CYP2D6 (0.39) MAPTGAATDP1MEN1KMT2A
SCHEMBL26363230 0.82 CYP2D6 (0.39) MAPTGAATDP1MEN1KMT2A
SCHEMBL10539251 0.82 ALDH1A1 (0.39) MAPTGAATDP1MEN1KMT2A
SCHEMBL9204037 0.82 DHODH (0.57) MAPTGAATDP1MEN1KMT2A
SCHEMBL10539245 0.82 ALDH1A1 (0.39) MAPTGAATDP1MEN1KMT2A

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
US-5892040-A Process for the manufacture of a tricyclic compound PFIZER. INC (US) 1999-04-06 US disclosed
EP-0680482-B1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND PFIZER (US) 1997-04-02 EP disclosed
EP-0680482-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND. PFIZER (US) 1995-11-08 EP disclosed
WO-1994017074-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND PFIZER INC. (US) 1994-08-04 WO disclosed