SCHEMBL9707311

SCHEMBL9707311

CC(C)C(=O)N(O)CCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.53
MMP2 P08253 2/20 0.52
MMP3 P08254 2/20 0.52
LSS P48449 1/20 0.51
MAPT P10636 1/20 0.50
LTA4H P09960 1/20 0.49
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47

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 0.84 MMP2 (0.72) MCHR1MMP2MMP3LSSMAPT
SCHEMBL23074681 0.77 LSS (0.67) MCHR1MMP3LSSMAPTLTA4H
SCHEMBL9707353 0.77 LSS (0.62) MMP2MMP3LSSLTA4HPPARG
SCHEMBL10617883 0.73 MMP2 (0.61) MMP2MMP3MAPTLTA4HSMN1; SMN2
SCHEMBL22831331 0.73 LSS (0.83) LSSMAPTLTA4HNPC1RAB9A
SCHEMBL22831336 0.73 LSS (0.71) LSSLTA4HNPC1RAB9A
SCHEMBL9877712 0.73 LTA4H (0.60) MMP3LSSLTA4HHDAC3HDAC4
SCHEMBL19598468 0.72 MAPT (0.55) MMP3MAPTPPARGPPARDPPARA
SCHEMBL10619047 0.71 KDM4E (0.58) PPARGPPARDPPARAHDAC1NPC1
SCHEMBL9268691 0.71 MCHR1 (0.50) MCHR1MMP3LSSMAPTLTA4H

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-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
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO 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