SCHEMBL8409999

SCHEMBL8409999

Clc1ccc(-c2ccccc2)cc1.O=C(O)C(=O)CCCCCCC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
HDAC8 Q9BY41 8/20 0.55
HDAC1 Q13547 8/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
ERCC5 P28715 3/20 0.51
FEN1 P39748 3/20 0.51
HAO1 Q9UJM8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL8408111 1.00 L3MBTL1 (0.59) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL8408930 0.98 L3MBTL1 (0.56) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL8480256 0.84 HDAC1 (0.56) L3MBTL1HDAC8HDAC1HDAC3HDAC4
SCHEMBL8484815 0.84 HDAC1 (0.56) L3MBTL1HDAC8HDAC1HDAC3HDAC4
SCHEMBL11451318 0.81 TDP1 (0.69) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL8482201 0.80 CES2 (0.51) L3MBTL1MAPTHDAC8HDAC1HDAC3
SCHEMBL6138758 0.78 HDAC1 (0.59) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL8519287 0.77 TDP1 (1.00) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL27516050 0.77 TDP1 (1.00) L3MBTL1LMNAMAPTTDP1HDAC8
SCHEMBL9057671 0.77 TDP1 (1.00) L3MBTL1LMNAMAPTTDP1HDAC8

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-5932763-A Inhibition of matrix metalloproteases by 2-(ω-arolalkyl)-4-biaryl-4-oxobutyric acids BAYER CORPORATION (US) 1999-08-03 US disclosed