SCHEMBL7760847

SCHEMBL7760847

C[C](c1ccccc1)C(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 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
SCHEMBL9450308 0.81 HDAC3 (0.47) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL4068910 0.78 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL7698518 0.77 CES1 (0.44) MAPTALDH1A1ALOX15ESR1MAPK1
SCHEMBL11505025 0.77 MAPT (0.56) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL668719 0.74 MAPT (0.59) MAPTKMT2AALDH1A1CYP3A4CES1
SCHEMBL4789184 0.74 MAPT (0.48) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL15955115 0.74 CES1 (0.54) MAPTKMT2ACES1CES2CYP2C19
SCHEMBL24239792 0.73 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL2023918 0.73 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15ESR1
Hydrogen Peroxide SCHEMBL1652477 0.73 MAPT (0.64) MAPTKMT2AALDH1A1ALOX15ESR1

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-0860741-B1 Photopolymerizable composition FUJI PHOTO FILM CO LTD (JP) 2001-05-16 EP disclosed
EP-0860741-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1998-08-26 EP disclosed