SCHEMBL7980415

SCHEMBL7980415

CCOC(=O)c1c(-c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.43
PDE7A Q13946 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL10741325 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNATDP1NPSR1
SCHEMBL7984053 0.81 ALDH1A1 (0.50) ALDH1A1MAPTLMNATDP1NPSR1
SCHEMBL7980336 0.80 HTT (0.51) ALDH1A1MAPTLMNATDP1NPSR1
SCHEMBL7970089 0.78 HTT (0.53) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL25207816 0.75 ALDH1A1 (0.54) ALDH1A1MAPTLMNATDP1NPSR1
SCHEMBL2333730 0.74 HTT (0.59) ALDH1A1MAPTLMNATDP1NPSR1
SCHEMBL15808259 0.73 ALDH1A1 (0.52) ALDH1A1MAPTLMNATDP1NPSR1
SCHEMBL5242387 0.72 MAPT (0.53) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL10500707 0.72 ALDH1A1 (0.47) ALDH1A1MAPTLMNATDP1NPSR1
SCHEMBL28483458 0.72 ALDH1A1 (0.63) ALDH1A1MAPTLMNATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed