SCHEMBL9707326

SCHEMBL9707326

CC(=O)N(O)Cc1ccc(SCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
SLC6A4 P31645 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
HAO1 Q9UJM8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RIPK1 Q13546 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1436622 0.83 ALOX5 (0.70) ALOX5PTGS1PTGS2ALDH1A1MEN1
Cyclohexane SCHEMBL9835197 0.79 ALOX5 (0.64) ALOX5PTGS1PTGS2ALDH1A1MEN1
SCHEMBL7152142 0.78 SLC6A4 (0.53) SLC6A4ALDH1A1KDM4EPPARGPPARA
SCHEMBL9707312 0.77 PTGS1 (0.62) ALOX5PTGS1PTGS2RIPK1LMNA
SCHEMBL11698574 0.76 LMNA (0.59) SLC6A4ALDH1A1KDM4EPPARGPPARA
SCHEMBL10717547 0.74 AKR1B1 (0.63) PTGS1SLC6A4ALDH1A1KDM4EPPARG
SCHEMBL7394066 0.73 SLC6A4 (0.52) SLC6A4ALDH1A1KDM4EPPARGPPARA
SCHEMBL9127455 0.73 SLC6A4 (0.52) SLC6A4ALDH1A1KDM4EPPARGPPARA
SCHEMBL9707420 0.73 ALOX5 (0.70) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL9707249 0.73 ALOX5 (1.00) ALOX5PTGS1PTGS2ALDH1A1MAOB

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