SCHEMBL8391069

SCHEMBL8391069

CN(C)c1ccc(C=C(F)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 2/20 0.50
HSD17B3 P37058 1/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MEN1 O00255 4/20 0.49
JAK2 O60674 1/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL8391067 1.00 MAPT (0.50) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL4005429 0.81 MAPT (0.61) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL5950254 0.79 AKR1C3 (0.62) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL5950256 0.79 AKR1C3 (0.62) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL7071418 0.79 AKR1C3 (0.46) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL7071420 0.79 AKR1C3 (0.46) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL13464635 0.78 MAPT (0.50) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL7071034 0.76 ALDH1A1 (0.51) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL7067160 0.76 ALDH1A1 (0.51) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL8387734 0.76 KDM4E (0.53) ALDH1A1KMT2AMEN1CYP3A4CYP2C9

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
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US claimed