SCHEMBL11075448

SCHEMBL11075448

Cc1c(Cl)ccc(OC(C)CCC(=O)Nc2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC2 Q92769 8/20 0.45
HDAC8 Q9BY41 8/20 0.45
HDAC6 Q9UBN7 8/20 0.45
HDAC4 P56524 7/20 0.45
HDAC7 Q8WUI4 7/20 0.45
HDAC10 Q969S8 7/20 0.45
HDAC11 Q96DB2 7/20 0.45
HDAC9 Q9UKV0 7/20 0.45
HDAC5 Q9UQL6 7/20 0.45
LTA4H P09960 1/20 0.42
RAB9A P51151 1/20 0.41
RORC P51449 2/20 0.41
ESRRA P11474 1/20 0.41
NOTUM Q6P988 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL11086642 0.92 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11082590 0.90 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11083691 0.82 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11070398 0.82 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11074305 0.80 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11085038 0.79 MEN1 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11077507 0.79 KDM4E (0.53) NOTUM
SCHEMBL11082064 0.77 NOTUM (0.63) RAB9ANOTUM
SCHEMBL11075362 0.74 NPC1 (0.47) RAB9ARORCTHRBCYP1A2CYP3A4
SCHEMBL11071539 0.73 MEN1 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6

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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed