SCHEMBL8044657

SCHEMBL8044657

COc1ccc(C(C#N)(CCCCCC(=O)NOC(=O)c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC3 O15379 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL8433999 0.95 ALDH1A1 (0.46) CCR1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL8049747 0.90 CYP3A4 (0.43) CCR1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL8044655 0.90 CYP3A4 (0.43) CCR1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL8052908 0.90 KMT2A (0.40) KMT2AALDH1A1HDAC1HDAC8HDAC3
SCHEMBL8035131 0.89 KMT2A (0.46) KMT2AALDH1A1LMNAHDAC1HDAC8
SCHEMBL8035061 0.88 AHR (0.39) CCR1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL8035617 0.88 KMT2A (0.40) CCR1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL8047018 0.86 ALDH1A1 (0.42) CCR1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL8035359 0.84 ALDH1A1 (0.41) CCR1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL8052846 0.81 HDAC1 (0.56) ALDH1A1LMNAHDAC1HDAC8HDAC3

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