SCHEMBL9876964

SCHEMBL9876964

CNC(=O)N(O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
MMP3 P08254 1/20 0.47
PTGS1 P23219 2/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RIPK1 Q13546 1/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PTGES O14684 1/20 0.43
FFAR1 O14842 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
MMP12 P39900 1/20 0.42

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
SCHEMBL9877530 0.83 NPC1 (0.48) TAAR1MMP3PTGS1ABCC4LMNA
SCHEMBL9878344 0.82 ALDH1A1 (0.58) PTGS1ABCC4LMNAGAATSHR
SCHEMBL9707312 0.81 PTGS1 (0.62) TAAR1MMP3PTGS1ABCC4LMNA
SCHEMBL9373244 0.79 ALDH1A1 (0.41) TAAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL10870045 0.79 LTB4R2 (0.56) TSHRHTTALOX5
SCHEMBL9474361 0.79 ALOX5 (0.72) PTGS1ALDH1A1FFAR1ALOX5PTGS2
SCHEMBL9707541 0.77 RIPK1 (0.59) TAAR1MMP3PTGS1ABCC4LMNA
SCHEMBL9877346 0.75 MEN1 (0.62) LMNATSHRHTTMEN1KMT2A
SCHEMBL8807104 0.74 ALOX5 (0.68) HTTKMT2AALDH1A1ALOX5
SCHEMBL9378756 0.74 RAB9A (0.50) MEN1KMT2AALDH1A1HPGDALOX5

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