SCHEMBL1964215

SCHEMBL1964215

O=C(O)CCCc1ccccc1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL29381368 1.00 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17593719 0.94 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL290082 0.93 MAPT (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30403428 0.88 KEAP1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4336097 0.88 KEAP1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2878880 0.86 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31512109 0.86 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29712399 0.83 TAAR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL809020 0.83 TAAR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8582372 0.81 MAPT (0.46) HDAC1HDAC2MAPTRXFP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019190266-A1 PSMA-TARGETED RADIOPHARMACEUTICAL FOR DIAGNOSING AND TREATING PROSTATE CANCER (주)퓨쳐켐 2019-10-03 WO disclosed
US-9730442-B2 Use of 4-phenylbutyric acid for improving the tolerance of plants to harmful biological organisms INSTITUT DE RECHERCHE POUR LE DÉVELOPPEMENT (IRD) (FR) 2017-08-15 US disclosed
US-20150201618-A1 Use of 4-Phenylbutyric Acid for Improving the Tolerance of Plants to Harmful Biological Organisms INSTITUT DE RECHERCHE POUR LE DÉVELOPPEMENT (IRD) (FR) 2015-07-23 US disclosed
WO-2011069182-A1 COMPOSITIONS COMPRISING ZINC FINGER DOMAINS AND USES THEREFOR THE UNIVERSITY OF SYDNEY (AU) 2011-06-16 WO disclosed