SCHEMBL8035359

SCHEMBL8035359

CCC(=O)ONC(=O)CCCCCC(C#N)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 9/20 0.39
HDAC8 Q9BY41 7/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC3 O15379 6/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
CCR1 P32246 1/20 0.38
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL8047018 0.89 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1HDAC1HDAC8
SCHEMBL8050105 0.89 HDAC3 (0.38) ALDH1A1LMNAL3MBTL1HDAC1HDAC8
SCHEMBL8044769 0.88 GAA (0.39) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8044965 0.88 OPRM1 (0.43) HDAC6CCR1
SCHEMBL8045183 0.88 OPRM1 (0.43) HDAC6CCR1
SCHEMBL8433999 0.87 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1HDAC1HDAC8
SCHEMBL8047275 0.86 AHR (0.39) ALDH1A1L3MBTL1HDAC1HDAC8HDAC6
SCHEMBL8044657 0.84 CCR1 (0.43) ALDH1A1LMNAL3MBTL1HDAC1HDAC8
SCHEMBL8045765 0.84 CCR1 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8052846 0.84 HDAC1 (0.56) ALDH1A1LMNAL3MBTL1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP claimed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US claimed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP claimed
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed