SCHEMBL9372017

SCHEMBL9372017

COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1C2=Cc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.46
IL6 P05231 2/20 0.46
CYP24A1 Q07973 1/20 0.46
MAOB P27338 4/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NFE2L2 Q16236 3/20 0.41
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL7983285 0.80 NFKB1 (0.44) TNFIL6CYP24A1MAOBMAPT
SCHEMBL9372014 0.72 NFE2L2 (0.44) MAPTLMNANFE2L2MEN1KMT2A
SCHEMBL7980263 0.72 CYP1A1 (0.50) MAPTLMNASMN1; SMN2NFE2L2TRPA1
SCHEMBL4157687 0.70 TNF (0.50) TNFIL6CYP24A1MAPTLMNA
SCHEMBL14674464 0.69 MDM2 (0.58) CYP24A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL28031997 0.69 TNF (0.69) TNFIL6CYP24A1MAOBMAPT
SCHEMBL28031993 0.69 TNF (0.69) TNFIL6CYP24A1MAOBMAPT
SCHEMBL30093322 0.68 CA1 (0.55) MAOBLMNAATMNFE2L2TRPA1
SCHEMBL255270 0.68 CA1 (0.55) MAOBLMNAATMNFE2L2TRPA1
SCHEMBL12486515 0.68 PTGER4 (0.51) MAOBMAPTLMNAGAAATM

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-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