SCHEMBL4789184

SCHEMBL4789184

C=C(c1ccccc1)C(C)(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.39
CES1 P23141 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 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
SCHEMBL28543496 0.83 CES2 (0.49) MAPTKMT2AALDH1A1ALOX15CYP3A4
SCHEMBL965081 0.78 ATM (0.40) MAPTKMT2AALDH1A1CES1TSHR
SCHEMBL9806389 0.78 MAPT (0.54) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL12407295 0.78 MAPT (0.54) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL11133993 0.77 CES1 (0.34) MAPTKMT2AALDH1A1ALOX15CES1
SCHEMBL2023918 0.76 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL4068910 0.76 MAPT (0.52) MAPTKMT2AALDH1A1ALOX15ESR1
SCHEMBL8209427 0.76 KCNN4 (0.40) ALDH1A1ALOX15CES1CYP2C19TSHR
SCHEMBL7545115 0.76 SRC (0.41) MAPTKMT2AALDH1A1ALOX15CES1
SCHEMBL25912437 0.76 ATM (0.39) MAPTKMT2AALDH1A1ALOX15CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123387-A2 WATER-BASED PAINT COMPOSITIONS AND MULTILAYER COATING FILM FORMING METHOD KANSAI PAINT CO., LTD. (JP) 2008-10-16 WO disclosed