SCHEMBL8035617

SCHEMBL8035617

N#CC(CCCCCC(=O)NOC(=O)c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CCR1 P32246 1/20 0.39
HDAC6 Q9UBN7 14/20 0.39
HDAC3 O15379 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8044655 0.92 CYP3A4 (0.43) KMT2AALDH1A1POLBMAPTCCR1
SCHEMBL8049747 0.92 CYP3A4 (0.43) KMT2AALDH1A1POLBMAPTCCR1
SCHEMBL8052908 0.89 KMT2A (0.40) KMT2AALDH1A1POLBMAPTHDAC6
SCHEMBL8044657 0.88 CCR1 (0.43) KMT2AALDH1A1POLBMAPTCCR1
SCHEMBL8045765 0.85 CCR1 (0.40) CCR1HDAC6HDAC3HDAC1HDAC4
SCHEMBL8044769 0.83 GAA (0.39) CCR1HDAC6HDAC3HDAC1HDAC4
SCHEMBL8045870 0.82 HDAC6 (0.49) CCR1HDAC6HDAC3HDAC1HDAC4
SCHEMBL8433999 0.82 ALDH1A1 (0.46) ALDH1A1MAPTCCR1HDAC6HDAC3
SCHEMBL8047487 0.82 HDAC6 (0.42) CCR1HDAC6HDAC3HDAC1HDAC4
SCHEMBL8045631 0.79 HDAC6 (0.39) KMT2AALDH1A1POLBMAPTCCR1

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