SCHEMBL5476265

SCHEMBL5476265

COc1ccc(-c2ccn(CCOC(=O)CC(F)=C(F)F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
KDM1A O60341 1/20 0.43
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
CYP19A1 P11511 1/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GABRA1 P14867 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
SCHEMBL5341517 0.87 SCN4A (0.40) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL413536 0.74 GABRP (0.48) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL415236 0.72 GABRA1 (0.65) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL13933893 0.71 SCN4A (0.47) CYP1A2HSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL5342860 0.70 SCN4A (0.39) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL27650272 0.70 HPGD (0.42) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL2834175 0.69 CYP19A1 (0.47) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL17261551 0.68 KMT2A (0.47) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL21401830 0.67 NR5A2 (0.45) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL5836525 0.67 HDAC1 (0.52) HDAC1HDAC2HDAC8HDAC6HDAC5

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-2007089455-A1 FLUOROALKENYL DERIVATIVES AS INSECTICIDES AND NEMATICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-09 WO disclosed