SCHEMBL7669038

SCHEMBL7669038

CN1c2ccccc2N(C)c2cc(C=CC(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC3 O15379 2/20 0.53
▸ HDAC4 P56524 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HDAC9 Q9UKV0 2/20 0.53
▸ HDAC5 Q9UQL6 2/20 0.53
▸ HCAR2 Q8TDS4 2/20 0.53
▸ TNKS O95271 1/20 0.53
▸ TNKS2 Q9H2K2 1/20 0.53
▸ KDM4E B2RXH2 7/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50

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
SCHEMBL7669034 1.00 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL30784638 0.95 KDM4E (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13170362 0.77 KDM4E (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13170482 0.77 KDM4E (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28940691 0.75 LTB4R (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL584596 0.73 KDM4E (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL111230 0.73 KDM4E (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL165795 0.72 HDAC2 (0.75) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL165794 0.72 HDAC2 (0.75) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10747786 0.72 HDAC1 (0.91) HDAC1HDAC3HDAC4HDAC7HDAC2

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-6420363-B1 Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2002-07-16 — — US claimed
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