SCHEMBL9877346

SCHEMBL9877346

O=C(NC1CCCCC1)N(O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
EPHX1 P07099 3/20 0.59
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TSHR P16473 2/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
EPHX2 P34913 3/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HPGD P15428 1/20 0.48
PTGES O14684 1/20 0.46
FAAH O00519 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL29221791 0.79 TSHR (0.76) MEN1KMT2AALDH1A1EPHX1LMNA
SCHEMBL29221806 0.79 TSHR (0.76) MEN1KMT2AALDH1A1EPHX1LMNA
SCHEMBL9876964 0.75 TAAR1 (0.50) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL19271811 0.74 PKM (0.60) MEN1KMT2AALDH1A1EPHX1LMNA
Biphenyl SCHEMBL5492703 0.74 MEN1 (0.63) MEN1KMT2AALDH1A1EPHX1LMNA
SCHEMBL12196005 0.74 EPHX1 (1.00) MEN1KMT2AALDH1A1EPHX1TSHR
SCHEMBL9878344 0.74 ALDH1A1 (0.58) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL3483105 0.72 ALDH1A1 (0.67) MEN1KMT2AALDH1A1EPHX1LMNA
SCHEMBL22308180 0.72 NPC1 (0.84) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL22289346 0.72 NPC1 (0.84) MEN1KMT2AALDH1A1LMNANPSR1

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
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