SCHEMBL13878418

SCHEMBL13878418

CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cc(C(c4ccc(O)c(NC(=O)c5cccc(C(=O)Nc6cc(C(c7ccc(O)c(N)c7)(C(F)(F)F)C(F)(F)F)ccc6O)c5)c4)(C(F)(F)F)C(F)(F)F)ccc3O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
BRAF P15056 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PTGS1 P23219 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL13878453 0.93 MAPT (0.43) ESRRAMAPTKDM4EHDAC2HDAC1
SCHEMBL14081554 0.92 MAPT (0.43) MAPTKDM4EHDAC2HDAC1HDAC3
SCHEMBL14081566 0.91 ESRRA (0.45) ESRRAMAPTKDM4EHDAC2HDAC1
SCHEMBL13878426 0.91 ESRRA (0.44) ESRRAMAPTKDM4EHDAC1CYP1A2
SCHEMBL13741867 0.91 HDAC2 (0.46) MAPTHDAC2HDAC1PTGS1CYP1A2
SCHEMBL14081557 0.88 MAPT (0.40) MAPTKDM4EHDAC2HDAC1HDAC3
SCHEMBL13742426 0.87 MAPT (0.45) MAPTKDM4EHDAC2HDAC1HDAC3
SCHEMBL13155882 0.87 MAPT (0.52) MAPTKDM4EHDAC1PTGS1MAPK1
SCHEMBL13155883 0.87 PTGS1 (0.45) HDAC2HDAC1PTGS1CYP1A2CYP3A4
SCHEMBL14502204 0.86 KCNMA1 (0.51) MAPTKDM4EHDAC1PTGS1MAPK1

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
US-20090111050-A1 Novel Photosensitive Resin Compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2009-04-30 US disclosed
US-7407731-B2 of photosensitive polybenzoxazole (PBO) precursors, a mercapto compound of given formula such as 2-mercaptobenzoxazole to inhibit residue from forming, a photosensitive agent, a photoactive compound and solvent; electronics, relief images FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2008-08-05 US disclosed