SCHEMBL9707353

SCHEMBL9707353

CC(=O)N(O)CCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.62
MMP3 P08254 2/20 0.62
MMP2 P08253 1/20 0.62
LTA4H P09960 1/20 0.58
HDAC1 Q13547 9/20 0.52
HDAC2 Q92769 9/20 0.52
HDAC3 O15379 8/20 0.52
HDAC4 P56524 8/20 0.52
HDAC7 Q8WUI4 8/20 0.52
HDAC10 Q969S8 8/20 0.52
HDAC11 Q96DB2 8/20 0.52
HDAC8 Q9BY41 8/20 0.52
HDAC6 Q9UBN7 8/20 0.52
HDAC9 Q9UKV0 8/20 0.52
HDAC5 Q9UQL6 8/20 0.52
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 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
SCHEMBL9707448 0.92 MMP2 (0.72) LSSMMP3MMP2LTA4HHDAC1
SCHEMBL10617099 0.91 L3MBTL1 (0.54) MMP3MMP2LTA4HALOX5PTGS1
SCHEMBL10619007 0.86 KCNA3 (0.53) MMP3MMP2LTA4HALOX5PTGS1
SCHEMBL10617883 0.82 MMP2 (0.61) MMP3MMP2LTA4HALOX5PTGS1
SCHEMBL6744608 0.81 MMP2 (0.54) MMP3MMP2
Acetic Acid SCHEMBL10679754 0.78 LSS (0.74) LSSLTA4HHDAC1HDAC2HDAC3
SCHEMBL9707360 0.78 ALOX5 (0.72) MMP3MMP2ALOX5PTGS1PTGS2
SCHEMBL10679594 0.77 LSS (1.00) LSSLTA4H
SCHEMBL9707311 0.77 MCHR1 (0.53) LSSMMP3MMP2LTA4HHDAC1
SCHEMBL7449433 0.77 MMP2 (1.00) MMP3MMP2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP disclosed
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed